N-(2-bromo-4-methylphenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-(2-bromo-4-methylphenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0289 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C20 H19 Br N4 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CCNC(CN1C=Nc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3237 |
| logD: | 1.3237 |
| logSw: | -2.5502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.103 |
| InChI Key: | XDTUEOJUIBJPAD-UHFFFAOYSA-N |