dimethyl [1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioate
Chemical Structure Depiction of
dimethyl [1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioate
dimethyl [1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioate
Compound characteristics
| Compound ID: | 8015-6023 |
| Compound Name: | dimethyl [1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioate |
| Molecular Weight: | 451.29 |
| Molecular Formula: | C21 H20 Br F O5 |
| Smiles: | CC(C(C(C(=O)OC)C(=O)OC)c1ccc(cc1)[Br])C(c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4821 |
| logD: | 4.4767 |
| logSw: | -4.59 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.053 |
| InChI Key: | KSMDRHDZNOSKLH-UHFFFAOYSA-N |