4-{2-[(4-ethyl-8,8-dimethyl-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
4-{2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}butanoic acid
4-{2-[(4-ethyl-8,8-dimethyl-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: | D715-1222 |
| Compound Name: | 4-{2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}butanoic acid |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C22 H27 N O7 |
| Smiles: | CCC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(NCCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0083 |
| logD: | -0.8126 |
| logSw: | -2.4874 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.945 |
| InChI Key: | RUNONZQVXQXFGB-UHFFFAOYSA-N |