4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0595 |
| Compound Name: | 4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 328.36 |
| Molecular Formula: | C17 H13 F N2 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1C=C(C#N)S(c2c1cccc2F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0397 |
| logD: | 3.0397 |
| logSw: | -3.2998 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.706 |
| InChI Key: | JJRIFWMRGCUSPJ-UHFFFAOYSA-N |