Chemical Properties of 1-Phenylcarbamoyl-7-styryl-2,3-phthaloylpyrrocoline (CAS 104601-60-7)

1-Phenylcarbamoyl-7-styryl-2,3-phthaloylpyrrocoline

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InChI
InChI=1S/C31H20N2O3/c34-29-23-13-7-8-14-24(23)30(35)28-27(29)26(31(36)32-22-11-5-2-6-12-22)25-19-21(17-18-33(25)28)16-15-20-9-3-1-4-10-20/h1-19H,(H,32,36)
InChI Key
TVXUATWJBWGMOZ-UHFFFAOYSA-N
Formula
C31H20N2O3
SMILES
O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccccc1)c1cc(C=Cc3ccccc3)ccn21
Molecular Weight1
468.50
CAS
104601-60-7
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Physical Properties

Property Value Unit Source
log10WS -9.17 Crippen Calculated Property
logPoct/wat 6.137 Crippen Calculated Property
McVol 346.960 ml/mol McGowan Calculated Property

Similar Compounds

Nalmefene. 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. Ergocristine.

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Sources

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