1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexylacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexylacetate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexylacetate
Compound characteristics
| Compound ID: | C100-0548 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexylacetate |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(CC1CCCCC1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4911 |
| logD: | 5.4911 |
| logSw: | -5.4399 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.923 |
| InChI Key: | PCSIPPSNRVMNNV-UHFFFAOYSA-N |