6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl diethylcarbamodithioate
Chemical Structure Depiction of
6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl diethylcarbamodithioate
6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl diethylcarbamodithioate
Compound characteristics
| Compound ID: | 8008-5301 |
| Compound Name: | 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl diethylcarbamodithioate |
| Molecular Weight: | 529.31 |
| Molecular Formula: | C20 H19 Br2 N O2 S2 |
| Smiles: | CCN(CC)C(=S)SC1C(c2ccccc2)Oc2c(cc(cc2[Br])[Br])C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6784 |
| logD: | 6.6784 |
| logSw: | -5.6971 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 22.5051 |
| InChI Key: | NRWCSCNUXGQMJZ-UHFFFAOYSA-N |