5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate
Chemical Structure Depiction of
5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate
5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate
Compound characteristics
Compound ID: | C050-0313 |
Compound Name: | 5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate |
Molecular Weight: | 389.4 |
Molecular Formula: | C18 H16 F N3 O4 S |
Smiles: | Cc1ccc(cc1C)C(=O)Oc1cc(N)n(n1)S(c1ccc(cc1)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.24 |
logD: | 3.24 |
logSw: | -3.6284 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.745 |
InChI Key: | YXZBYPJSPKGRBK-UHFFFAOYSA-N |