2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-(4-methoxyphenyl)prop-2-enoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-(4-methoxyphenyl)prop-2-enoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-(4-methoxyphenyl)prop-2-enoate
Compound characteristics
| Compound ID: | D037-0034 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-(4-methoxyphenyl)prop-2-enoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C23 H16 O5 S |
| Smiles: | COc1ccc(/C=C/C(=O)Oc2cc(c3ccccc3)c3c(c2)SC(=O)O3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4114 |
| logD: | 5.4114 |
| logSw: | -5.6205 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.05 |
| InChI Key: | MKULSZIZDYQAGB-UHFFFAOYSA-N |