N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0396 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)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)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.2325 |
| logD: | 1.2002 |
| logSw: | -2.5896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.955 |
| InChI Key: | PZBNLOJGTHGNNZ-UHFFFAOYSA-N |