8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2476 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 441.87 |
| Molecular Formula: | C23 H20 Cl N O6 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OC(CCNC(=O)OCc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0207 |
| logD: | 4.0207 |
| logSw: | -4.4695 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.299 |
| InChI Key: | AYJCZQJBSXMMHR-UHFFFAOYSA-N |