3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl methoxyacetate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl methoxyacetate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl methoxyacetate
Compound characteristics
| Compound ID: | C100-0106 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl methoxyacetate |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C19 H17 N3 O5 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(COC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2125 |
| logD: | 3.2125 |
| logSw: | -3.7499 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.46 |
| InChI Key: | QYAGUYYLLUKTHB-UHFFFAOYSA-N |