3-(4-chlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
3-(4-chlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | IB08-6751 |
| Compound Name: | 3-(4-chlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 522.9 |
| Molecular Formula: | C23 H18 Cl3 N3 O S2 |
| Smiles: | CN1CCc2c3C(N(C(=Nc3sc2C1)SCc1ccc(cc1[Cl])[Cl])c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.28 |
| logD: | 6.28 |
| logSw: | -7.23 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 81.49 |
| InChI Key: | SROUHTVCLQCNTN-UHFFFAOYSA-N |