N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0402 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CC1CC(C)CN(CCCNC(CCNC(CN2C=Nc3ccccc3C2=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2258 |
| logD: | -2.3791 |
| logSw: | -2.3741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.814 |
| InChI Key: | FMXHWFGARBDNKJ-UHFFFAOYSA-N |