methyl N-{5-fluoro-2-[(pyrrolidine-1-carbonyl)amino]benzoyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{5-fluoro-2-[(pyrrolidine-1-carbonyl)amino]benzoyl}-beta-alaninate
methyl N-{5-fluoro-2-[(pyrrolidine-1-carbonyl)amino]benzoyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y043-7567 |
| Compound Name: | methyl N-{5-fluoro-2-[(pyrrolidine-1-carbonyl)amino]benzoyl}-beta-alaninate |
| Molecular Weight: | 337.35 |
| Molecular Formula: | C16 H20 F N3 O4 |
| Smiles: | COC(CCNC(c1cc(ccc1NC(N1CCCC1)=O)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7377 |
| logD: | 1.7362 |
| logSw: | -2.3946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.481 |
| InChI Key: | XPYGWPSLIRAIHO-UHFFFAOYSA-N |