N-(4-fluorophenyl)-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-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-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-carboxamide
N-(4-fluorophenyl)-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-carboxamide
Compound characteristics
| Compound ID: | K310-0078 |
| Compound Name: | N-(4-fluorophenyl)-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-carboxamide |
| Molecular Weight: | 518.54 |
| Molecular Formula: | C25 H15 F N4 O4 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc(cc1)F)=O)SCC(C1=Cc2ccccc2OC1=O)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.038 |
| logD: | 3.9871 |
| logSw: | -4.4206 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.479 |
| InChI Key: | CSMXQSSDMNNPOG-UHFFFAOYSA-N |