4-chlorophenyl 4,4-dioxo-5-phenyl-3,4-dihydro-2H-1,4lambda~6~-oxathiine-6-carboxylate
Chemical Structure Depiction of
4-chlorophenyl 4,4-dioxo-5-phenyl-3,4-dihydro-2H-1,4lambda~6~-oxathiine-6-carboxylate
4-chlorophenyl 4,4-dioxo-5-phenyl-3,4-dihydro-2H-1,4lambda~6~-oxathiine-6-carboxylate
Compound characteristics
| Compound ID: | IB05-2765 |
| Compound Name: | 4-chlorophenyl 4,4-dioxo-5-phenyl-3,4-dihydro-2H-1,4lambda~6~-oxathiine-6-carboxylate |
| Molecular Weight: | 364.8 |
| Molecular Formula: | C17 H13 Cl O5 S |
| Smiles: | C1CS(C(=C(C(=O)Oc2ccc(cc2)[Cl])O1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.19 |
| logD: | 3.19 |
| logSw: | -3.33 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 110.92 |
| InChI Key: | ODXKDXXFWUWGOQ-UHFFFAOYSA-N |