2-{[5-cyclopropyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-cyclopropyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
2-{[5-cyclopropyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V009-2972 |
| Compound Name: | 2-{[5-cyclopropyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 418.34 |
| Molecular Formula: | C20 H17 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(C2CC2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6557 |
| logD: | 5.6557 |
| logSw: | -6.062 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.483 |
| InChI Key: | YWQBXSGJUGOEQZ-UHFFFAOYSA-N |