(1H-benzotriazol-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
Chemical Structure Depiction of
(1H-benzotriazol-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
(1H-benzotriazol-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
Compound characteristics
| Compound ID: | 3502-2773 |
| Compound Name: | (1H-benzotriazol-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C15 H13 N3 O2 S |
| Smiles: | COc1cc(ccc1C(n1c2ccccc2nn1)=O)SC |
| Stereo: | ACHIRAL |
| logP: | 2.6514 |
| logD: | 2.6514 |
| logSw: | -3.1153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.627 |
| InChI Key: | KNBMSSLWODJJEI-UHFFFAOYSA-N |