methyl 4-{[(4-methylphenoxy)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[(4-methylphenoxy)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 4-{[(4-methylphenoxy)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0588 |
| Compound Name: | methyl 4-{[(4-methylphenoxy)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C22 H23 N O7 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccc(C)cc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8176 |
| logD: | 3.8176 |
| logSw: | -3.9836 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.833 |
| InChI Key: | LMILTJVFWLOUGT-UHFFFAOYSA-N |