4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | 3330-4617 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C21 H19 N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(CCNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8978 |
| logD: | 2.8978 |
| logSw: | -3.6527 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.411 |
| InChI Key: | AIQRCTCBCCVNBL-UHFFFAOYSA-N |