N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V010-1383 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(C)nnc1SCc1ccc(cc1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9863 |
| logD: | 3.9845 |
| logSw: | -4.1311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.667 |
| InChI Key: | WTEGWPSGGFXLLV-UHFFFAOYSA-N |