4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V029-5013 |
| Compound Name: | 4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 459.01 |
| Molecular Formula: | C23 H27 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2CCOC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0411 |
| logD: | 4.0411 |
| logSw: | -4.3456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.246 |
| InChI Key: | VXHNTEPZKFGROF-UHFFFAOYSA-N |