2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1518 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C18 H14 Cl N3 O3 S |
| Smiles: | Cn1c(c2ccc3c(c2)OCO3)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8575 |
| logD: | 3.8575 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.413 |
| InChI Key: | OAMLBOHQPASHSX-UHFFFAOYSA-N |