methyl 6-chloro-2-[2-(3-chloroanilino)-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-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 6-chloro-2-[2-(3-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0127 |
| Compound Name: | methyl 6-chloro-2-[2-(3-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 517.39 |
| Molecular Formula: | C24 H18 Cl2 N2 O5 S |
| Smiles: | COC(C1=C(c2ccccc2)c2cc(ccc2S(N1CC(Nc1cccc(c1)[Cl])=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7893 |
| logD: | 5.7893 |
| logSw: | -5.8352 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | VNFCTQLSRKFLAA-UHFFFAOYSA-N |