methyl 4-(4-ethylphenyl)-6,7-difluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-ethylphenyl)-6,7-difluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(4-ethylphenyl)-6,7-difluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | C200-9234 |
| Compound Name: | methyl 4-(4-ethylphenyl)-6,7-difluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 379.38 |
| Molecular Formula: | C18 H15 F2 N O4 S |
| Smiles: | CCc1ccc(cc1)N1C=C(C(=O)OC)S(c2cc(c(cc12)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4733 |
| logD: | 3.4733 |
| logSw: | -3.8679 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | CQMIUPYQIZDRBY-UHFFFAOYSA-N |