AC1LQL2S structure

AC1LQL2S

11-(4-methoxyphenyl)-10-(3-methylbutylsulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Also Known As: Oprea1_195856|3-(4-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|2-(4-methoxyphenyl)-3-(3-methylbutylsulfanyl)-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one|2-(isopentylthio)-3-(4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one

CAS: 330833-70-0
Molecular Formula C21H24N2O2S2
Molecular Weight 400.12793 g/mol
LogP 5.0827
Topological Polar Surface Area 44.12 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 400.12793
Monoisotopic Mass 400.12793
Heavy Atoms 27
Complexity 1019.323

Chemical Identifiers

CAS Number 330833-70-0
SMILES CC(C)CCSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)OC

Product Overview

AC1LQL2S (CAS 330833-70-0), with molecular formula C21H24N2O2S2 and molecular weight 400.12793 g/mol. IUPAC: 11-(4-methoxyphenyl)-10-(3-methylbutylsulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.

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