3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | C100-0125 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C24 H19 N3 O5 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(COc1ccccc1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6691 |
| logD: | 4.6691 |
| logSw: | -4.5264 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.263 |
| InChI Key: | RXHUXSMRANSSNV-UHFFFAOYSA-N |