2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1517 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethan-1-one |
| Molecular Weight: | 422.29 |
| Molecular Formula: | C18 H13 Cl2 N3 O3 S |
| Smiles: | Cn1c(c2ccc3c(c2)OCO3)nnc1SCC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6136 |
| logD: | 4.6136 |
| logSw: | -4.8366 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.413 |
| InChI Key: | KTQPNLHNGKJSNM-UHFFFAOYSA-N |