N-(3-chloro-4-fluorophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-(3-chloro-4-fluorophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0294 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 402.81 |
| Molecular Formula: | C19 H16 Cl F N4 O3 |
| Smiles: | C(CNC(CN1C=Nc2ccccc2C1=O)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2725 |
| logD: | 1.2545 |
| logSw: | -3.0944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.801 |
| InChI Key: | XAVZGTBFTAFFSD-UHFFFAOYSA-N |