methyl N-{5-[(4-fluorophenyl)methyl]-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{5-[(4-fluorophenyl)methyl]-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carbonyl}-beta-alaninate
methyl N-{5-[(4-fluorophenyl)methyl]-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | T226-2115 |
| Compound Name: | methyl N-{5-[(4-fluorophenyl)methyl]-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carbonyl}-beta-alaninate |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C22 H19 F N4 O4 |
| Smiles: | COC(CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccnn12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7613 |
| logD: | 1.7613 |
| logSw: | -2.371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.944 |
| InChI Key: | XFYPEBBVFHIGEB-UHFFFAOYSA-N |