N-(2-methoxy-5-nitrophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-(2-methoxy-5-nitrophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0369 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 425.4 |
| Molecular Formula: | C20 H19 N5 O6 |
| Smiles: | COc1ccc(cc1NC(CCNC(CN1C=Nc2ccccc2C1=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.1339 |
| logD: | 0.091 |
| logSw: | -2.5774 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.115 |
| InChI Key: | ZBBRDLWYFOHWJS-UHFFFAOYSA-N |