N-(3,4-dimethoxyphenyl)-4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethoxyphenyl)-4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V013-0322 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C27 H25 N5 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6573 |
| logD: | 4.6556 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.953 |
| InChI Key: | JRNCKNMGIGRWAN-UHFFFAOYSA-N |