1-(4-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one
1-(4-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8007-7878 |
| Compound Name: | 1-(4-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1nnc(c2cccc(c2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1249 |
| logD: | 5.1249 |
| logSw: | -5.0739 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.164 |
| InChI Key: | AAQPOZHCINSTTE-UHFFFAOYSA-N |