ethyl 3-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 3-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
ethyl 3-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F464-0320 |
| Compound Name: | ethyl 3-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C21 H16 Cl N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CN1C=Nc2c3c(cccc3sc2C1=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5789 |
| logD: | 4.5789 |
| logSw: | -4.7133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.737 |
| InChI Key: | MFODOYVNQSABJT-UHFFFAOYSA-N |