5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
Chemical Structure Depiction of
5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
Compound characteristics
Compound ID: | C050-0298 |
Compound Name: | 5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate |
Molecular Weight: | 440.25 |
Molecular Formula: | C16 H11 Br F N3 O4 S |
Smiles: | c1ccc(c(c1)C(=O)Oc1cc(N)n(n1)S(c1ccc(cc1)F)(=O)=O)[Br] |
Stereo: | ACHIRAL |
logP: | 2.885 |
logD: | 2.885 |
logSw: | -3.6799 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.745 |
InChI Key: | BFNYWGNDZVLBKY-UHFFFAOYSA-N |