2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V028-0566 |
| Compound Name: | 2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccccc1CSc1nnc(COC)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9784 |
| logD: | 3.9784 |
| logSw: | -4.1512 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.326 |
| InChI Key: | QSTRVBYOIDWSSF-UHFFFAOYSA-N |