methyl 4-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
methyl 4-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F464-0311 |
| Compound Name: | methyl 4-[2-(9-chloro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C20 H14 Cl N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Nc2c3c(cccc3sc2C1=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8876 |
| logD: | 3.8876 |
| logSw: | -4.3144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.157 |
| InChI Key: | BUPGIHMSBFFYAH-UHFFFAOYSA-N |