1-benzyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
1-benzyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0921 |
| Compound Name: | 1-benzyl-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C21 H18 N4 O S |
| Smiles: | CSc1cccc(c1)NC(c1ccc2c(c1)nnn2Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8579 |
| logD: | 3.8578 |
| logSw: | -4.0764 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.756 |
| InChI Key: | SJPRSQKPNXRHDW-UHFFFAOYSA-N |