ethyl 8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
ethyl 8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
ethyl 8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
| Compound ID: | K310-0027 |
| Compound Name: | ethyl 8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C21 H15 N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N3C(=Nc2s1)SCC(C1=Cc2ccccc2OC1=O)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3668 |
| logD: | 3.3668 |
| logSw: | -3.8033 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.141 |
| InChI Key: | HBNBANHFDNIMHU-UHFFFAOYSA-N |