methyl 4-(4-bromo-3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromo-3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(4-bromo-3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0059 |
| Compound Name: | methyl 4-(4-bromo-3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 408.27 |
| Molecular Formula: | C17 H14 Br N O4 S |
| Smiles: | Cc1cc(ccc1[Br])N1C=C(C(=O)OC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3051 |
| logD: | 3.3051 |
| logSw: | -3.7565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | WIOAXADECGNWBO-UHFFFAOYSA-N |