1-(4-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one
1-(4-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8007-7513 |
| Compound Name: | 1-(4-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C24 H20 N4 O5 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.687 |
| logD: | 4.687 |
| logSw: | -4.5633 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.881 |
| InChI Key: | GRBFNUQJXNNHRH-UHFFFAOYSA-N |