4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1432 |
| Compound Name: | 4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C27 H25 N O7 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1C)c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6017 |
| logD: | 4.6016 |
| logSw: | -4.4116 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.343 |
| InChI Key: | MCFFRLCBRUKJDP-UHFFFAOYSA-N |