ethyl 2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
ethyl 2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
ethyl 2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
Compound ID: | K310-0036 |
Compound Name: | ethyl 2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate |
Molecular Weight: | 483.52 |
Molecular Formula: | C22 H17 N3 O6 S2 |
Smiles: | CCOC(c1c(C)c2C(N3C(=Nc2s1)SCC(C1=Cc2cccc(c2OC1=O)OC)=N3)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3156 |
logD: | 3.3156 |
logSw: | -3.7455 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 86.456 |
InChI Key: | NWKUITXHEDJKQZ-UHFFFAOYSA-N |