3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D097-0037 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C27 H25 N O6 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccc(C)cc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.992 |
| logD: | 4.992 |
| logSw: | -4.6894 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.989 |
| InChI Key: | JQHTXDNSGZMEGI-UHFFFAOYSA-N |