N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0035 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 504.99 |
| Molecular Formula: | C23 H25 Cl N4 O5 S |
| Smiles: | COc1cc(c(cc1NC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.2027 |
| logD: | 2.1858 |
| logSw: | -3.4456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.187 |
| InChI Key: | FQACYCVXXILCOM-UHFFFAOYSA-N |