2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1440 |
| Compound Name: | 2-(3,5-dimethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | COc1cc(cc(c1)OC)NC(COC(CCCC1NS(c2ccccc2N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9212 |
| logD: | 1.921 |
| logSw: | -2.7714 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.876 |
| InChI Key: | RGWLSNCEVNFHOF-UHFFFAOYSA-N |