N-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methylphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-(2-methoxy-5-methylphenyl)-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: | C046-0105 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | Cc1ccc(c(c1)NC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7408 |
| logD: | 1.7407 |
| logSw: | -2.6031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.557 |
| InChI Key: | LKPSJKYXMKNHFD-UHFFFAOYSA-N |