4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline
Chemical Structure Depiction of
4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline
4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline
Compound characteristics
| Compound ID: | 5001-0297 |
| Compound Name: | 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | C1CCCN(CC1)c1c2ccccc2nc(c2cccc(c2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0722 |
| logD: | 5.9774 |
| logSw: | -6.3868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.351 |
| InChI Key: | KBBPPCOGPLZIGU-UHFFFAOYSA-N |