5-amino-1-(4-bromobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate
Chemical Structure Depiction of
5-amino-1-(4-bromobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate
5-amino-1-(4-bromobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | C050-0008 |
| Compound Name: | 5-amino-1-(4-bromobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate |
| Molecular Weight: | 456.7 |
| Molecular Formula: | C16 H11 Br Cl N3 O4 S |
| Smiles: | c1cc(ccc1C(=O)Oc1cc(N)n(n1)S(c1ccc(cc1)[Br])(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7738 |
| logD: | 3.7738 |
| logSw: | -4.5114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.745 |
| InChI Key: | MJBIAPDHPMONDJ-UHFFFAOYSA-N |