N-[3-(4-methylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[3-(4-methylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-[3-(4-methylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0400 |
| Compound Name: | N-[3-(4-methylpiperidin-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | CC1CCN(CCCNC(CCNC(CN2C=Nc3ccccc3C2=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | -0.2232 |
| logD: | -2.7414 |
| logSw: | -2.3853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.947 |
| InChI Key: | VASLWYWMVUMXJT-UHFFFAOYSA-N |