3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-phenylbutanoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-phenylbutanoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-phenylbutanoate
Compound characteristics
| Compound ID: | C263-0371 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-phenylbutanoate |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C26 H23 N3 O6 S |
| Smiles: | CCC(C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0334 |
| logD: | 5.0334 |
| logSw: | -4.7289 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.433 |
| InChI Key: | XWWXMHBPFCHTKL-HSZRJFAPSA-N |