methyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K263-0446 |
| Compound Name: | methyl 2-(2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 529.64 |
| Molecular Formula: | C28 H23 N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2c3ccccc3sc2C(N1CCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3615 |
| logD: | 5.3532 |
| logSw: | -5.5671 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.87 |
| InChI Key: | GNIBZRYJOXWTPK-UHFFFAOYSA-N |