Chemical Properties of 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one

1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one

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InChI
InChI=1S/C20H21N2O3PS/c1-2-25-26(24,22-13-5-8-19(22)23)14-15-9-11-16(12-10-15)20-21-17-6-3-4-7-18(17)27-20/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3
InChI Key
HTAUUADKDLLMRU-UHFFFAOYSA-N
Formula
C20H21N2O3PS
SMILES
CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1=O
Molecular Weight1
400.44
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Physical Properties

Property Value Unit Source
ω 0.7951 Relay (... Calculated Property
ΔfG° 129.99 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -287.44 kJ/mol Relay (... Calculated Property
ΔvapH° 136.54 kJ/mol Relay (... Calculated Property
IE 8.09 eV Relay (... Calculated Property
log10WS -3.73 Aq. Sol...
logPoct/wat 5.315 Crippen Calculated Property
McVol 289.200 ml/mol McGowan Calculated Property
Pc 1465.27 kPa Relay (... Calculated Property ⚠️
Tboil 785.76 K Relay (... Calculated Property
Tc 1071.68 K Relay (... Calculated Property
Tfus 378.27 K Relay (... Calculated Property
Vc 1.052 m3/kmol Relay (... Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. 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 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]pyrrolidin-2-one.

Sources

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