7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-[(benzyloxy)carbonyl]-beta-alaninate
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1610 |
| Compound Name: | 7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C24 H23 N O6 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.972 |
| logD: | 3.972 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.299 |
| InChI Key: | DKQRMEGFFOXXFA-UHFFFAOYSA-N |