1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Chemical Structure Depiction of
1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D316-0302 |
| Compound Name: | 1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate |
| Molecular Weight: | 387.45 |
| Molecular Formula: | C20 H21 N O5 S |
| Smiles: | CCCN1C=C(c2ccccc2S1(=O)=O)OC(COc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2759 |
| logD: | 3.2759 |
| logSw: | -3.6848 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.386 |
| InChI Key: | ILPCQQASIHBYNW-UHFFFAOYSA-N |