N-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide
Chemical Structure Depiction of
N-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide
N-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide
Compound characteristics
| Compound ID: | C796-1122 |
| Compound Name: | N-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc(cc1)NC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5705 |
| logD: | 1.5938 |
| logSw: | -2.9973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.774 |
| InChI Key: | DKTNBPSNEBTYAE-UHFFFAOYSA-N |