methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-7726 |
| Compound Name: | methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 448.9 |
| Molecular Formula: | C26 H21 Cl O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5863 |
| logD: | 6.5863 |
| logSw: | -6.1432 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.377 |
| InChI Key: | DCQDQHIAXAEROC-UHFFFAOYSA-N |