N-(2-methoxyethyl)-2-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-2-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-7479 |
| Compound Name: | N-(2-methoxyethyl)-2-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | CC(C)c1nnc(n1c1cccc(C)c1)SCc1ccccc1C(NCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5364 |
| logD: | 4.5363 |
| logSw: | -4.3064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.853 |
| InChI Key: | RGXCGDZIEKKEQB-UHFFFAOYSA-N |