N-{3-[benzyl(ethyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-{3-[benzyl(ethyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0394 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | CCN(CCCNC(CCNC(CN1C=Nc2ccccc2C1=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.4317 |
| logD: | -1.2152 |
| logSw: | -2.4426 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.651 |
| InChI Key: | ANVOLEHDONKYLM-UHFFFAOYSA-N |