methyl 2-[2-(4-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-[2-(4-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0034 |
| Compound Name: | methyl 2-[2-(4-chloroanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C24 H19 Cl N2 O5 S |
| Smiles: | COC(C1=C(c2ccccc2)c2ccccc2S(N1CC(Nc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7717 |
| logD: | 4.7717 |
| logSw: | -4.9856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | XIWGMFGXOLSNCQ-UHFFFAOYSA-N |