N-(4-fluorophenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-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-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(4-fluorophenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0059 |
| Compound Name: | N-(4-fluorophenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 495.51 |
| Molecular Formula: | C22 H14 F N5 O4 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc(cc1)F)=O)SCC(c1ccc(cc1)[N+]([O-])=O)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2972 |
| logD: | 4.2405 |
| logSw: | -4.4558 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.938 |
| InChI Key: | XTPSPTMQCWEJFZ-UHFFFAOYSA-N |