2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}butanoic acid
Chemical Structure Depiction of
2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}butanoic acid
2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}butanoic acid
Compound characteristics
| Compound ID: | D715-1188 |
| Compound Name: | 2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}butanoic acid |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C21 H25 N O7 |
| Smiles: | CCC(C(O)=O)NC(COc1cc2c(CCC(C)(C)O2)c2c1C(C)=CC(=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8422 |
| logD: | -1.7757 |
| logSw: | -1.9825 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.759 |
| InChI Key: | WVYRWOMIZDOVFX-ZDUSSCGKSA-N |