N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | 8014-7325 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide |
| Molecular Weight: | 593.19 |
| Molecular Formula: | C29 H25 Cl N4 O2 S3 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCCC(Nc1ncc(Cc2ccc(cc2)[Cl])s1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0484 |
| logD: | 7.0454 |
| logSw: | -6.6724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.428 |
| InChI Key: | IELGWTPPRJQSPE-UHFFFAOYSA-N |