1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0643 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | Cc1ccc(Cn2c3ccc(cc3nn2)C(Nc2cccc(c2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2813 |
| logD: | 4.2812 |
| logSw: | -4.266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.756 |
| InChI Key: | WHTRTJXDPJVCBZ-UHFFFAOYSA-N |