N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0527 |
| Compound Name: | N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 331.32 |
| Molecular Formula: | C17 H17 N O6 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1326 |
| logD: | -2.563 |
| logSw: | -2.2536 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.643 |
| InChI Key: | QNDKSKPSEAFZIH-UHFFFAOYSA-N |