2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V030-1399 |
| Compound Name: | 2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccccc1CSc1nnc(Cc2ccccc2)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6161 |
| logD: | 5.6161 |
| logSw: | -5.4755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.917 |
| InChI Key: | ZZNZSEGDRZKADE-UHFFFAOYSA-N |