4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V030-2790 |
| Compound Name: | 4-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C28 H27 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4606 |
| logD: | 6.4605 |
| logSw: | -5.6739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.692 |
| InChI Key: | SGPFRJSKQLJFCQ-UHFFFAOYSA-N |