2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0055 |
| Compound Name: | 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 502.95 |
| Molecular Formula: | C22 H13 Cl F2 N4 O2 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc(cc1F)F)=O)SCC(c1ccc(cc1)[Cl])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0513 |
| logD: | 4.0283 |
| logSw: | -5.5126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.859 |
| InChI Key: | SSOPKCXFEUMPQU-UHFFFAOYSA-N |