7-chloro-4-(4-methylphenyl)-2-phenyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-4-(4-methylphenyl)-2-phenyl-1H-1,3,5-benzotriazepine
7-chloro-4-(4-methylphenyl)-2-phenyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0133 |
| Compound Name: | 7-chloro-4-(4-methylphenyl)-2-phenyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 345.83 |
| Molecular Formula: | C21 H16 Cl N3 |
| Smiles: | Cc1ccc(cc1)C1N=C(c2ccccc2)Nc2ccc(cc2N=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4589 |
| logD: | 5.4553 |
| logSw: | -6.0551 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4751 |
| InChI Key: | URLIUZYJQWNFET-UHFFFAOYSA-N |