4-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}butanoic acid
Chemical Structure Depiction of
4-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}butanoic acid
4-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}butanoic acid
Compound characteristics
| Compound ID: | D715-0528 |
| Compound Name: | 4-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}butanoic acid |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C18 H19 N O6 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC(NCCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5465 |
| logD: | -2.2744 |
| logSw: | -2.2752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.643 |
| InChI Key: | SBPQEZOTICQLDJ-UHFFFAOYSA-N |