AC1N5S3S structure

AC1N5S3S

N-cyclohexyl-18-phenylsulfanyl-14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-imine

Also Known As: (E)-N-(3-(phenylthio)-6,7,8,9,9a,10,11,12,13,14-decahydro-2H-benzo[4,5]imidazo[2,1-e]acridin-2-ylidene)cyclohexanamine

CAS: 138792-95-7
Molecular Formula C31H37N3S
Molecular Weight 483.2708 g/mol
LogP 8.2087
Topological Polar Surface Area 27.96 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 483.2708
Monoisotopic Mass 483.2708
Heavy Atoms 35
Complexity 1150.9281

Chemical Identifiers

CAS Number 138792-95-7
SMILES C1CCC(CC1)N=C2C=C3C(=NC45N3C6=C(CCCC6)CC4CCCC5)C=C2SC7=CC=CC=C7

Product Overview

AC1N5S3S (CAS 138792-95-7), with molecular formula C31H37N3S and molecular weight 483.2708 g/mol. IUPAC: N-cyclohexyl-18-phenylsulfanyl-14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-imine.

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