3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8020 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 569.49 |
| Molecular Formula: | C29 H22 F3 N O8 |
| Smiles: | C(CNC(=O)OCc1ccccc1)C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1105 |
| logD: | 4.1105 |
| logSw: | -4.6196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.867 |
| InChI Key: | SJAMSFGLTWYXPO-UHFFFAOYSA-N |