1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate
Compound characteristics
| Compound ID: | C100-0579 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(Cc1ccccc1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6681 |
| logD: | 4.6681 |
| logSw: | -4.5786 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.731 |
| InChI Key: | FGRARKGJXMXAHV-UHFFFAOYSA-N |