1-hydroxy-2-[3-(methylsulfanyl)phenyl]-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
1-hydroxy-2-[3-(methylsulfanyl)phenyl]-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
1-hydroxy-2-[3-(methylsulfanyl)phenyl]-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | C710-0057 |
| Compound Name: | 1-hydroxy-2-[3-(methylsulfanyl)phenyl]-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 287.34 |
| Molecular Formula: | C14 H13 N3 O2 S |
| Smiles: | CSc1cccc(c1)N1C(Nc2ccccc2N1O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6965 |
| logD: | 2.581 |
| logSw: | -3.2899 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.615 |
| InChI Key: | MZBIVWFMPZZDSQ-UHFFFAOYSA-N |