4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0211 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | Cc1ccc(C(C2=CN(c3ccc4c(c3)OCCO4)c3ccccc3S2(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4594 |
| logD: | 3.4594 |
| logSw: | -3.9021 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.241 |
| InChI Key: | SJEXIOUGGFWGLL-UHFFFAOYSA-N |