2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
Chemical Structure Depiction of
2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
Compound characteristics
| Compound ID: | K261-1467 |
| Compound Name: | 2-(3-chloro-4-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C21 H21 Cl F N3 O5 S |
| Smiles: | CC(C)(CC1NS(c2ccccc2N=1)(=O)=O)CC(=O)OCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0346 |
| logD: | 2.4602 |
| logSw: | -3.4457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.308 |
| InChI Key: | DCTCZUIUQOGWDK-UHFFFAOYSA-N |