3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate
Compound characteristics
| Compound ID: | C100-0094 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl (3,4-dimethoxyphenyl)acetate |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C26 H23 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(Cc1ccc(c(c1)OC)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7176 |
| logD: | 4.7176 |
| logSw: | -4.6734 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.025 |
| InChI Key: | XTMNWTLCYVECPZ-UHFFFAOYSA-N |