6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-5260 |
| Compound Name: | 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 657.42 |
| Molecular Formula: | C27 H31 Br2 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1c(CC(C[Br])[Br])cc2C(C)=CC(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9263 |
| logD: | 6.9263 |
| logSw: | -5.6529 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.477 |
| InChI Key: | UZXYTNAFPQAFFR-ZSKHTPEISA-N |