methyl 4-(2,5-dimethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(2,5-dimethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(2,5-dimethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0149 |
| Compound Name: | methyl 4-(2,5-dimethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C18 H16 F N O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1C=C(C(=O)OC)S(c2cc(ccc12)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2396 |
| logD: | 3.2396 |
| logSw: | -3.4945 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.823 |
| InChI Key: | WJGNSPUVYWBKAS-UHFFFAOYSA-N |