AC1LYY9V
4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile|4-({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile|4-({[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}methyl)benzonitrile|4-[[2-(4-chlorophenyl)-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanylmethyl]benzonitrile|4-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5 -b]thiophen-2-ylthio]methyl}benzenecarbonitrile
| Molecular Formula | C23H16ClN3OS2 |
|---|---|
| Molecular Weight | 449.04233 g/mol |
| LogP | 5.75328 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.04233 |
| Monoisotopic Mass | 449.04233 |
| Heavy Atoms | 30 |
| Complexity | 1349.2102 |
Chemical Identifiers
| CAS Number | 613227-00-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C#N)C5=CC=C(C=C5)Cl |
Product Overview
AC1LYY9V (CAS 613227-00-2), with molecular formula C23H16ClN3OS2 and molecular weight 449.04233 g/mol. IUPAC: 4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile.