4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Chemical Structure Depiction of
4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Compound characteristics
| Compound ID: | V028-2032 |
| Compound Name: | 4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2CCOC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3818 |
| logD: | 3.3818 |
| logSw: | -3.5861 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.343 |
| InChI Key: | IKGKIJSNSWFSSO-UHFFFAOYSA-N |