methyl 6-bromo-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 6-bromo-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0234 |
| Compound Name: | methyl 6-bromo-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 440.33 |
| Molecular Formula: | C17 H14 Br N O4 S2 |
| Smiles: | COC(C1=CN(c2cccc(c2)SC)c2cc(ccc2S1(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4046 |
| logD: | 3.4046 |
| logSw: | -3.9139 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.124 |
| InChI Key: | ZCEWDMUDQYBTHA-UHFFFAOYSA-N |