2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V009-9466 |
| Compound Name: | 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C21 H17 N3 O S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2cccs2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9978 |
| logD: | 4.9977 |
| logSw: | -4.7459 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.978 |
| InChI Key: | UUUHQYXXLCTAPO-UHFFFAOYSA-N |