ethyl 1-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperidine-4-carboxylate
ethyl 1-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | E199-0051 |
| Compound Name: | ethyl 1-[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]piperidine-4-carboxylate |
| Molecular Weight: | 463.35 |
| Molecular Formula: | C16 H23 Br N4 O5 S |
| Smiles: | CCOC(C1CCN(CC1)C(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8661 |
| logD: | 0.8656 |
| logSw: | -2.3727 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.818 |
| InChI Key: | AQJHGJCOGUMRJH-UHFFFAOYSA-N |