2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8012-7859 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C23 H18 N4 O S2 |
| Smiles: | C1Cc2c3C(N(C(=Nc3sc2C1)SCc1nc2ccccc2[nH]1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.92 |
| logD: | 4.9199 |
| logSw: | -4.9837 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.63 |
| InChI Key: | MBAYPCAOGXLJOB-UHFFFAOYSA-N |