3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl propanoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl propanoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl propanoate
Compound characteristics
Compound ID: | C263-0385 |
Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl propanoate |
Molecular Weight: | 415.42 |
Molecular Formula: | C19 H17 N3 O6 S |
Smiles: | CCC(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0181 |
logD: | 3.0181 |
logSw: | -3.5534 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 97.109 |
InChI Key: | HFWUOKCXPPTZLU-UHFFFAOYSA-N |