N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-alanine
Chemical Structure Depiction of
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-alanine
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-alanine
Compound characteristics
| Compound ID: | Y042-8594 |
| Compound Name: | N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-alanine |
| Molecular Weight: | 331.32 |
| Molecular Formula: | C17 H17 N O6 |
| Smiles: | C[C@@H](C(O)=O)NC(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5246 |
| logD: | -3.124 |
| logSw: | -2.234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.989 |
| InChI Key: | FPEZSOWXFMWHRB-VIFPVBQESA-N |