3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Chemical Structure Depiction of
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Compound characteristics
Compound ID: | D239-0034 |
Compound Name: | 3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate |
Molecular Weight: | 466.51 |
Molecular Formula: | C24 H22 N2 O6 S |
Smiles: | CN(C)CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccco1)=O)C(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.125 |
logD: | 2.9308 |
logSw: | -3.6522 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 78.529 |
InChI Key: | YYVIPNWVJVAGJT-UHFFFAOYSA-N |