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
| 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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