N-(3,4-dimethylphenyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethylphenyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-4457 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5618 |
| logD: | 5.5617 |
| logSw: | -5.3626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.391 |
| InChI Key: | WKQMRPLKHQRTAO-UHFFFAOYSA-N |