N-(butan-2-yl)-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V028-1956 |
| Compound Name: | N-(butan-2-yl)-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2CCOC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4296 |
| logD: | 3.4296 |
| logSw: | -3.6749 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.069 |
| InChI Key: | FMVFWHNNTYJNAL-INIZCTEOSA-N |