4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1701 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C24 H24 Cl N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0332 |
| logD: | 5.0332 |
| logSw: | -5.2477 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.498 |
| InChI Key: | UHSAOLPDTYDDDS-UHFFFAOYSA-N |