Chemical Properties of Pyrido[3,4-b]pyrazine-5,7-dicarbamic acid, 2,3-diphenyl-, diethyl ester (CAS 16335-96-9)

Pyrido[3,4-b]pyrazine-5,7-dicarbamic acid, 2,3-diphenyl-, diethyl ester

InChI
InChI=1S/C25H23N5O4/c1-3-33-24(31)28-19-15-18-22(23(27-19)30-25(32)34-4-2)29-21(17-13-9-6-10-14-17)20(26-18)16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3,(H2,27,28,30,31,32)
InChI Key
YEJHPSDVNRGOOU-UHFFFAOYSA-N
Formula
C25H23N5O4
SMILES
CCOC(=O)Nc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c(NC(=O)OCC)n1
Molecular Weight1
457.48
CAS
16335-96-9
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Physical Properties

Property Value Unit Source
ω 1.0911 Relay (1.0) Calculated Property
ΔfG° 184.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -350.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 175.49 kJ/mol Relay (1.0) Calculated Property
IE 7.93 eV Relay (1.0) Calculated Property
log10WS -6.09 Relay (1.0) Calculated Property
logPoct/wat 5.496 Crippen Calculated Property
McVol 337.150 ml/mol McGowan Calculated Property
Pc 1607.86 kPa Relay (1.0-beta) Calculated Property
Tboil 796.96 K Relay (1.0) Calculated Property
Tc 1223.07 K Relay (1.0) Calculated Property
Tfus 507.60 K Relay (1.0) Calculated Property
Vc 1.233 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

ethyl eburnamenine-14-carboxylate. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 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. Ergocristine.

Find more compounds similar to Pyrido[3,4-b]pyrazine-5,7-dicarbamic acid, 2,3-diphenyl-, diethyl ester.

Sources

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