2-(3,4-dimethoxybenzoyl)-4-(3,5-dimethylphenyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-(3,4-dimethoxybenzoyl)-4-(3,5-dimethylphenyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-(3,4-dimethoxybenzoyl)-4-(3,5-dimethylphenyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0588 |
| Compound Name: | 2-(3,4-dimethoxybenzoyl)-4-(3,5-dimethylphenyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C25 H22 F N O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C=C(C(c2ccc(c(c2)OC)OC)=O)S(c2ccc(cc12)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4911 |
| logD: | 4.4911 |
| logSw: | -4.4467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.678 |
| InChI Key: | STSLPGIYHUMCQR-UHFFFAOYSA-N |