3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2915 |
| Compound Name: | 3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 572.43 |
| Molecular Formula: | C26 H22 Br N O7 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC(CCNS(c1ccc(C)cc1)(=O)=O)=O)=O)Oc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1242 |
| logD: | 5.1242 |
| logSw: | -4.9455 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.404 |
| InChI Key: | LCBUACSMUJUAKI-UHFFFAOYSA-N |