methyl 6-chloro-2-[2-(3-fluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-[2-(3-fluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 6-chloro-2-[2-(3-fluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0123 |
| Compound Name: | methyl 6-chloro-2-[2-(3-fluoroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 500.93 |
| Molecular Formula: | C24 H18 Cl F N2 O5 S |
| Smiles: | COC(C1=C(c2ccccc2)c2cc(ccc2S(N1CC(Nc1cccc(c1)F)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1891 |
| logD: | 5.1891 |
| logSw: | -5.4826 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | XQSCLCWJLKKUQM-UHFFFAOYSA-N |