methyl 2-ethyl-4-[(4-methylbenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 2-ethyl-4-[(4-methylbenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-ethyl-4-[(4-methylbenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0553 |
| Compound Name: | methyl 2-ethyl-4-[(4-methylbenzoyl)oxy]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C20 H19 N O6 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(C)cc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4442 |
| logD: | 3.4442 |
| logSw: | -3.7364 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.538 |
| InChI Key: | PVBDKJVYLCFHHP-UHFFFAOYSA-N |