N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V003-3542 |
| Compound Name: | N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C26 H25 N5 O5 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8044 |
| logD: | 3.8043 |
| logSw: | -4.1008 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.292 |
| InChI Key: | PMXBUYSBZGVXPC-UHFFFAOYSA-N |