N-[3-(methylsulfanyl)phenyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0913 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C17 H18 N4 O S |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4034 |
| logD: | 3.4033 |
| logSw: | -3.8725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.495 |
| InChI Key: | PSHFTIZBHXFVAJ-UHFFFAOYSA-N |