1-[(2-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(2-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
1-[(2-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0226 |
| Compound Name: | 1-[(2-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | Cc1ccccc1Cn1c2ccc(cc2nn1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6489 |
| logD: | 4.6488 |
| logSw: | -4.3931 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.756 |
| InChI Key: | IRECSZDANOJEQG-UHFFFAOYSA-N |