3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V006-5867 |
| Compound Name: | 3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C21 H18 N4 O S2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2cccs2)nnc1SCc1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1237 |
| logD: | 4.123 |
| logSw: | -4.4315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.489 |
| InChI Key: | ORHULCOXYGVLBZ-UHFFFAOYSA-N |