7-methyl-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-methyl-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine
7-methyl-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0114 |
| Compound Name: | 7-methyl-4-(4-nitrophenyl)-2-phenyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C21 H16 N4 O2 |
| Smiles: | Cc1ccc2c(c1)N=C(c1ccc(cc1)[N+]([O-])=O)N=C(c1ccccc1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.8365 |
| logD: | 4.8324 |
| logSw: | -4.6341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.857 |
| InChI Key: | KHZWRHDUXMINPJ-UHFFFAOYSA-N |