4-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0069 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C23 H17 N O5 S |
| Smiles: | Cc1ccc(cc1)C(C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8666 |
| logD: | 3.8666 |
| logSw: | -4.0053 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.533 |
| InChI Key: | ZWMZKTKHYGDATE-UHFFFAOYSA-N |