methyl 3-(2-cyano-8-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Chemical Structure Depiction of
methyl 3-(2-cyano-8-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
methyl 3-(2-cyano-8-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Compound characteristics
| Compound ID: | L807-0627 |
| Compound Name: | methyl 3-(2-cyano-8-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C17 H11 F N2 O4 S |
| Smiles: | COC(c1cccc(c1)N1C=C(C#N)S(c2c1cccc2F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1347 |
| logD: | 2.1347 |
| logSw: | -2.6256 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.18 |
| InChI Key: | YYPAPKCTLVKAQP-UHFFFAOYSA-N |