ethyl 4-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperazine-1-carboxylate
ethyl 4-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E199-0052 |
| Compound Name: | ethyl 4-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperazine-1-carboxylate |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C15 H22 Br N5 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4913 |
| logD: | 0.4908 |
| logSw: | -2.319 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.845 |
| InChI Key: | RTEWWCFLEMCOCH-UHFFFAOYSA-N |