2-(5-chloro-2-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-(5-chloro-2-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-(5-chloro-2-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1434 |
| Compound Name: | 2-(5-chloro-2-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C20 H20 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1NC(COC(CCCC1NS(c2ccccc2N=1)(=O)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1483 |
| logD: | 1.8224 |
| logSw: | -3.1488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.61 |
| InChI Key: | MWQQQMNCDJBXMP-UHFFFAOYSA-N |