2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 2969-0414 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C23 H17 Cl N2 O2 S2 |
| Smiles: | C1Cc2c3C(N(C(=Nc3sc2C1)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2125 |
| logD: | 5.2125 |
| logSw: | -6.0595 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.595 |
| InChI Key: | GDKZOCIUJPWRNA-UHFFFAOYSA-N |