methyl 4-(2H-1,3-benzodioxol-5-yl)-6-bromo-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(2H-1,3-benzodioxol-5-yl)-6-bromo-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(2H-1,3-benzodioxol-5-yl)-6-bromo-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0230 |
| Compound Name: | methyl 4-(2H-1,3-benzodioxol-5-yl)-6-bromo-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 438.25 |
| Molecular Formula: | C17 H12 Br N O6 S |
| Smiles: | COC(C1=CN(c2ccc3c(c2)OCO3)c2cc(ccc2S1(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9322 |
| logD: | 2.9322 |
| logSw: | -3.493 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.24 |
| InChI Key: | FDBGABCNBWNTPF-UHFFFAOYSA-N |