2-(4-methylphenyl)-5-phenyl-3H-1,3,4-benzotriazepine
Chemical Structure Depiction of
2-(4-methylphenyl)-5-phenyl-3H-1,3,4-benzotriazepine
2-(4-methylphenyl)-5-phenyl-3H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 7652-0057 |
| Compound Name: | 2-(4-methylphenyl)-5-phenyl-3H-1,3,4-benzotriazepine |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C21 H17 N3 |
| Smiles: | Cc1ccc(cc1)C1NN=C(c2ccccc2)c2ccccc2N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.8581 |
| logD: | 3.8068 |
| logSw: | -4.6772 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.942 |
| InChI Key: | ZMUPFXRYVCQKSF-UHFFFAOYSA-N |