ethyl 3-{[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]amino}benzoate
ethyl 3-{[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]amino}benzoate
Compound characteristics
| Compound ID: | E199-0047 |
| Compound Name: | ethyl 3-{[N-(2-amino-5-bromopyridine-3-sulfonyl)-beta-alanyl]amino}benzoate |
| Molecular Weight: | 471.33 |
| Molecular Formula: | C17 H19 Br N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5567 |
| logD: | 2.556 |
| logSw: | -3.0198 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.575 |
| InChI Key: | PTIAYFXZIKWZLI-UHFFFAOYSA-N |