7-chloro-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine
7-chloro-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0246 |
| Compound Name: | 7-chloro-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 376.8 |
| Molecular Formula: | C20 H13 Cl N4 O2 |
| Smiles: | c1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccc(cc2)[N+]([O-])=O)N=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9612 |
| logD: | 4.9605 |
| logSw: | -5.3632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.857 |
| InChI Key: | KJFHNDPOAXISHE-UHFFFAOYSA-N |