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 |