2-(2,4-dimethylbenzoyl)-4-[4-(propan-2-yl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-(2,4-dimethylbenzoyl)-4-[4-(propan-2-yl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-(2,4-dimethylbenzoyl)-4-[4-(propan-2-yl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0198 |
| Compound Name: | 2-(2,4-dimethylbenzoyl)-4-[4-(propan-2-yl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C26 H25 N O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C=C(C(c2ccc(C)cc2C)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6871 |
| logD: | 5.6871 |
| logSw: | -5.4817 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.417 |
| InChI Key: | YPTXDIRWQJHKKO-UHFFFAOYSA-N |