3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C100-0117 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C(C)(C)C)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0511 |
| logD: | 5.0511 |
| logSw: | -4.7925 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.631 |
| InChI Key: | ORBHIFHBSGYENY-UHFFFAOYSA-N |