N-[3-(azepan-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
N-[3-(azepan-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0399 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | C1CCCN(CC1)CCCNC(CCNC(CN1C=Nc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1179 |
| logD: | -2.7465 |
| logSw: | -2.311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.278 |
| InChI Key: | DKIHWROEFJASOA-UHFFFAOYSA-N |