6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-4677 |
| Compound Name: | 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 615.34 |
| Molecular Formula: | C24 H25 Br2 N O6 S |
| Smiles: | CC1=CC(=O)Oc2c1cc(CC(C[Br])[Br])c(c2C)OC(CCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.541 |
| logD: | 5.5409 |
| logSw: | -5.4285 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.158 |
| InChI Key: | OWOURHIUYVKGCN-SFHVURJKSA-N |