5-[(4-methylphenyl)sulfanyl]-2-phenyl-3H-1,3,4-benzotriazepine
Chemical Structure Depiction of
5-[(4-methylphenyl)sulfanyl]-2-phenyl-3H-1,3,4-benzotriazepine
5-[(4-methylphenyl)sulfanyl]-2-phenyl-3H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 8013-1795 |
| Compound Name: | 5-[(4-methylphenyl)sulfanyl]-2-phenyl-3H-1,3,4-benzotriazepine |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C21 H17 N3 S |
| Smiles: | Cc1ccc(cc1)SC1c2ccccc2N=C(c2ccccc2)NN=1 |
| Stereo: | ACHIRAL |
| logP: | 5.3149 |
| logD: | 5.307 |
| logSw: | -5.6369 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.362 |
| InChI Key: | FHYGLUHFTCZPOW-UHFFFAOYSA-N |