3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C263-0376 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8411 |
| logD: | 3.8411 |
| logSw: | -4.1439 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.109 |
| InChI Key: | JYIPTQHXDOXRQG-UHFFFAOYSA-N |