methyl 1,1-dioxo-4-(pentanoyloxy)-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 1,1-dioxo-4-(pentanoyloxy)-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 1,1-dioxo-4-(pentanoyloxy)-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0574 |
| Compound Name: | methyl 1,1-dioxo-4-(pentanoyloxy)-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C18 H23 N O6 S |
| Smiles: | CCCCC(=O)OC1=C(C(=O)OC)N(C(C)C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6388 |
| logD: | 3.6388 |
| logSw: | -3.9397 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.605 |
| InChI Key: | XDFQILHIOATXEL-UHFFFAOYSA-N |