methyl 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0035 |
| Compound Name: | methyl 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C17 H15 N O4 S2 |
| Smiles: | COC(C1=CN(c2cccc(c2)SC)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4136 |
| logD: | 2.4136 |
| logSw: | -2.7381 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.124 |
| InChI Key: | FPVYHQIQYUSUHT-UHFFFAOYSA-N |