methyl 4-(2,5-dimethyl-3-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2,5-dimethyl-3-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
methyl 4-(2,5-dimethyl-3-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3993-2036 |
| Compound Name: | methyl 4-(2,5-dimethyl-3-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 583.73 |
| Molecular Formula: | C32 H29 N3 O4 S2 |
| Smiles: | Cc1cc(C(CSC2=Nc3c(C(N2c2ccccc2)=O)c2CCCCc2s3)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1739 |
| logD: | 6.1739 |
| logSw: | -5.5056 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.068 |
| InChI Key: | OUJCLOAIAJEKRS-UHFFFAOYSA-N |