4-(3,5-dimethylphenyl)-2-(4-ethylbenzoyl)-7-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(3,5-dimethylphenyl)-2-(4-ethylbenzoyl)-7-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(3,5-dimethylphenyl)-2-(4-ethylbenzoyl)-7-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | C200-5806 |
| Compound Name: | 4-(3,5-dimethylphenyl)-2-(4-ethylbenzoyl)-7-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C25 H22 F N O3 S |
| Smiles: | CCc1ccc(cc1)C(C1=CN(c2cc(C)cc(C)c2)c2ccc(cc2S1(=O)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7422 |
| logD: | 5.7422 |
| logSw: | -5.4566 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.417 |
| InChI Key: | RPYNPFGZSBVUPW-UHFFFAOYSA-N |