2-[ethyl(3-methylphenyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
Chemical Structure Depiction of
2-[ethyl(3-methylphenyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
2-[ethyl(3-methylphenyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
Compound characteristics
| Compound ID: | K261-1455 |
| Compound Name: | 2-[ethyl(3-methylphenyl)amino]-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CCN(C(COC(CC(C)CC1NS(c2ccccc2N=1)(=O)=O)=O)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1277 |
| logD: | 2.6876 |
| logSw: | -3.494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.25 |
| InChI Key: | IGVFIZDAGNEZNF-QGZVFWFLSA-N |