1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-phenylbutanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-phenylbutanoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-phenylbutanoate
Compound characteristics
| Compound ID: | C263-0090 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 4-phenylbutanoate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(CCCc1ccccc1)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.125 |
| logD: | 5.125 |
| logSw: | -5.0539 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.423 |
| InChI Key: | ZLXGZLCZMQPRJH-UHFFFAOYSA-N |