ethyl 2-(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetamido)benzoate
ethyl 2-(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetamido)benzoate
Compound characteristics
| Compound ID: | K261-1411 |
| Compound Name: | ethyl 2-(2-{[4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetamido)benzoate |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C24 H27 N3 O7 S |
| Smiles: | CCOC(c1ccccc1NC(COC(CC(C)(C)CC1NS(c2ccccc2N=1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5727 |
| logD: | 1.9983 |
| logSw: | -3.1678 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.364 |
| InChI Key: | KTTAAYKJZXFXRQ-UHFFFAOYSA-N |