methyl 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
Compound ID: | G917-0231 |
Compound Name: | methyl 6-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
Molecular Weight: | 452.28 |
Molecular Formula: | C18 H14 Br N O6 S |
Smiles: | COC(C1=CN(c2ccc3c(c2)OCCO3)c2cc(ccc2S1(=O)=O)[Br])=O |
Stereo: | ACHIRAL |
logP: | 2.0717 |
logD: | 2.0717 |
logSw: | -2.7467 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 67.947 |
InChI Key: | VDERQVJMLADJRZ-UHFFFAOYSA-N |