1-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}proline
Chemical Structure Depiction of
1-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}proline
1-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}proline
Compound characteristics
| Compound ID: | Y042-8612 |
| Compound Name: | 1-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}proline |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C20 H21 N O6 |
| Smiles: | CC(C(N1CCC[C@H]1C(O)=O)=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9552 |
| logD: | -2.7468 |
| logSw: | -2.2044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.352 |
| InChI Key: | KGRXOVGCSWWERT-NBFOKTCDSA-N |