2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-5918 |
| Compound Name: | 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C23 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3976 |
| logD: | 5.3976 |
| logSw: | -5.4443 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.341 |
| InChI Key: | QVDHFZIGJYCPOR-UHFFFAOYSA-N |