2-(4-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-(4-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-(4-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1323 |
| Compound Name: | 2-(4-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CCc1ccc(cc1)NC(COC(CCCC1Nc2ccccc2S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6218 |
| logD: | 2.2959 |
| logSw: | -3.2431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.308 |
| InChI Key: | KERQNFICJFXFRY-UHFFFAOYSA-N |