4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8113 |
| Compound Name: | 4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H27 N O6 |
| Smiles: | CCCc1cc2C3CCCC=3C(=O)Oc2cc1OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0255 |
| logD: | 5.0255 |
| logSw: | -4.9109 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.299 |
| InChI Key: | GXFYJBVSUIHDDQ-UHFFFAOYSA-N |