N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V028-1533 |
| Compound Name: | N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccccc1CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1CCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4492 |
| logD: | 3.4492 |
| logSw: | -3.7821 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.812 |
| InChI Key: | QZYJKZOIPWRKFG-UHFFFAOYSA-N |