4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-3546 |
| Compound Name: | 4-({[5-benzyl-4-(2-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(c1ccc(CSc2nnc(Cc3ccccc3)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.604 |
| logD: | 4.604 |
| logSw: | -4.3888 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.703 |
| InChI Key: | VIGQQOABAZILFU-UHFFFAOYSA-N |