tert-butyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate
Chemical Structure Depiction of
tert-butyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate
tert-butyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-1470 |
| Compound Name: | tert-butyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C24 H26 O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.4433 |
| logD: | 5.4433 |
| logSw: | -5.5071 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.743 |
| InChI Key: | KVRTVVUREGWXOH-UHFFFAOYSA-N |