Chemical Properties of N-acetyl-n-(p-phthalimidobenze-sulfonyl)-2-amino-4,6-dimethylpyrimidine

N-acetyl-n-(p-phthalimidobenze-sulfonyl)-2-amino-4,6-dimethylpyrimidine

InChI
InChI=1S/C22H18N4O5S/c1-13-12-14(2)24-22(23-13)26(15(3)27)32(30,31)17-10-8-16(9-11-17)25-20(28)18-6-4-5-7-19(18)21(25)29/h4-12H,1-3H3
InChI Key
HPKTVFANTNFJNB-UHFFFAOYSA-N
Formula
C22H18N4O5S
SMILES
CC(=O)N(c1nc(C)cc(C)n1)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
Molecular Weight1
450.47
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Physical Properties

Property Value Unit Source
ω 1.0168 Relay (1.0) Calculated Property
ΔfG° 19.52 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -448.24 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.83 kJ/mol Relay (1.0) Calculated Property
IE 8.26 eV Relay (1.0) Calculated Property
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 2.636 Crippen Calculated Property
McVol 311.420 ml/mol McGowan Calculated Property
Pc 1514.25 kPa Relay (1.0-beta) Calculated Property
Tboil 771.89 K Relay (1.0) Calculated Property
Tc 1213.91 K Relay (1.0) Calculated Property
Tfus 532.52 K Relay (1.0) Calculated Property
Vc 1.144 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to N-acetyl-n-(p-phthalimidobenze-sulfonyl)-2-amino-4,6-dimethylpyrimidine.

Sources

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