2-(3-fluoro-4-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-(3-fluoro-4-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-(3-fluoro-4-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1438 |
| Compound Name: | 2-(3-fluoro-4-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C20 H20 F N3 O5 S |
| Smiles: | Cc1ccc(cc1F)NC(COC(CCCC1NS(c2ccccc2N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3409 |
| logD: | 2.015 |
| logSw: | -2.9265 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.308 |
| InChI Key: | OSUHACGAIHMTAB-UHFFFAOYSA-N |