2-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
2-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
2-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-0107 |
| Compound Name: | 2-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccco2)nnc1SCc1ccccc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4424 |
| logD: | 3.4424 |
| logSw: | -3.8401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.049 |
| InChI Key: | PYGMKKFXYCKXFF-UHFFFAOYSA-N |