1-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}piperidine-4-carboxylic acid
1-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y042-8604 |
| Compound Name: | 1-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}piperidine-4-carboxylic acid |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C20 H21 N O6 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC(N1CCC(CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6263 |
| logD: | -1.9267 |
| logSw: | -2.1431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.475 |
| InChI Key: | GJDXJJJTUCKHMW-UHFFFAOYSA-N |