dimethyl 3-methyl-5-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3993-1753 |
| Compound Name: | dimethyl 3-methyl-5-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 583.7 |
| Molecular Formula: | C27 H25 N3 O6 S3 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CSC2=Nc3c(C(N2c2ccccc2)=O)c2CCCCc2s3)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6586 |
| logD: | 3.093 |
| logSw: | -4.5825 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.274 |
| InChI Key: | CEAYPVQNYDIEDU-UHFFFAOYSA-N |