7-acetyl-3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G641-0305 |
| Compound Name: | 7-acetyl-3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-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(Cc4ccccc4)C(=Nc3sc2C1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2381 |
| logD: | 5.2381 |
| logSw: | -5.7144 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.723 |
| InChI Key: | XVBMOMAWUXQOSG-UHFFFAOYSA-N |