5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
Chemical Structure Depiction of
5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | C050-0350 |
| Compound Name: | 5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-bromobenzoate |
| Molecular Weight: | 452.28 |
| Molecular Formula: | C17 H14 Br N3 O5 S |
| Smiles: | COc1ccc(cc1)S(n1c(cc(n1)OC(c1ccccc1[Br])=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8383 |
| logD: | 2.8383 |
| logSw: | -3.6834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.289 |
| InChI Key: | CPUHHOCTGBTSAV-UHFFFAOYSA-N |