7-acetyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3475 |
| Compound Name: | 7-acetyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 496.05 |
| Molecular Formula: | C25 H22 Cl N3 O2 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCc1ccccc1[Cl])c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1961 |
| logD: | 5.1961 |
| logSw: | -5.7432 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.811 |
| InChI Key: | PBSMGPNDMLAGHM-UHFFFAOYSA-N |