4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0431 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 457.86 |
| Molecular Formula: | C22 H13 Cl F N O5 S |
| Smiles: | C1Oc2ccc(cc2O1)N1C=C(C(c2ccc(cc2)[Cl])=O)S(c2ccc(cc12)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3055 |
| logD: | 4.3055 |
| logSw: | -4.6557 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.533 |
| InChI Key: | LVRZSMAUKSCSGS-UHFFFAOYSA-N |