1-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Chemical Structure Depiction of
1-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
1-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Compound characteristics
| Compound ID: | 8415-03959 |
| Compound Name: | 1-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | CC(C)(C)C(CSc1nnc(c2ccccc2OC)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9423 |
| logD: | 2.9423 |
| logSw: | -3.5238 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.2 |
| InChI Key: | VQTWXRLGIROXGN-UHFFFAOYSA-N |