2-(4-chlorophenyl)-7-ethyl-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-ethyl-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
2-(4-chlorophenyl)-7-ethyl-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0132 |
| Compound Name: | 2-(4-chlorophenyl)-7-ethyl-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 404.85 |
| Molecular Formula: | C22 H17 Cl N4 O2 |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(cc1)[N+]([O-])=O)N=C(c1ccc(cc1)[Cl])N2 |
| Stereo: | ACHIRAL |
| logP: | 6.0102 |
| logD: | 6.008 |
| logSw: | -6.338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.857 |
| InChI Key: | XELMUIWSTNOFMW-UHFFFAOYSA-N |