1-(4-methylphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-methylphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methylphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V015-1293 |
| Compound Name: | 1-(4-methylphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C22 H19 N3 O S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2cccs2)n1c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5262 |
| logD: | 5.5262 |
| logSw: | -5.3401 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.978 |
| InChI Key: | ZWQLBVWZVONUNV-UHFFFAOYSA-N |