1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0127 |
| Compound Name: | 1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | Cn1c2ccc(cc2nn1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4349 |
| logD: | 2.4348 |
| logSw: | -3.014 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.313 |
| InChI Key: | NRHXROUFKFZIJS-UHFFFAOYSA-N |