methyl 4-{[2-(acetyloxy)benzoyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[2-(acetyloxy)benzoyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 4-{[2-(acetyloxy)benzoyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0530 |
| Compound Name: | methyl 4-{[2-(acetyloxy)benzoyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C20 H17 N O8 S |
| Smiles: | CC(=O)Oc1ccccc1C(=O)OC1=C(C(=O)OC)N(C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0031 |
| logD: | 3.0031 |
| logSw: | -3.6241 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.656 |
| InChI Key: | ITXGCXDDQQNKAT-UHFFFAOYSA-N |