2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
Chemical Structure Depiction of
2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
Compound characteristics
| Compound ID: | K261-1426 |
| Compound Name: | 2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CC(C)(CC1NS(c2ccccc2N=1)(=O)=O)CC(=O)OCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5573 |
| logD: | 1.9829 |
| logSw: | -3.3783 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.24 |
| InChI Key: | XNARIDBXBCCHPL-UHFFFAOYSA-N |