2-(4-chloro-2-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-(4-chloro-2-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-(4-chloro-2-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1436 |
| Compound Name: | 2-(4-chloro-2-fluoroanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 453.87 |
| Molecular Formula: | C19 H17 Cl F N3 O5 S |
| Smiles: | C(CC1NS(c2ccccc2N=1)(=O)=O)CC(=O)OCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.313 |
| logD: | 1.9871 |
| logSw: | -3.3862 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.61 |
| InChI Key: | JLDWLJYRHQRZAF-UHFFFAOYSA-N |