1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate
Compound characteristics
| Compound ID: | C263-0089 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | CCC(C(=O)Oc1c(c(C)nn1C(C)(C)C)S(c1ccc(C)cc1)(=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1001 |
| logD: | 5.1001 |
| logSw: | -4.9026 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | GENJDXZYPOBQGY-OAQYLSRUSA-N |