N-(5-ethyl-8-oxo-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-beta-alanine
Chemical Structure Depiction of
N-(5-ethyl-8-oxo-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-beta-alanine
N-(5-ethyl-8-oxo-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-beta-alanine
Compound characteristics
| Compound ID: | Y044-0025 |
| Compound Name: | N-(5-ethyl-8-oxo-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-beta-alanine |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C16 H16 N2 O6 |
| Smiles: | CCN1C=C(C(c2cc3c(cc12)OCO3)=O)C(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2787 |
| logD: | -2.417 |
| logSw: | -1.9447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.585 |
| InChI Key: | YNEPUNBYKXNTIS-UHFFFAOYSA-N |