2-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-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: | K310-0056 |
| Compound Name: | 2-(5-chlorothiophen-2-yl)-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: | 508.97 |
| Molecular Formula: | C20 H11 Cl F2 N4 O2 S3 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc(cc1F)F)=O)SCC(c1ccc(s1)[Cl])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0201 |
| logD: | 3.997 |
| logSw: | -5.3367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.877 |
| InChI Key: | UGXZDRFVYQAWMZ-UHFFFAOYSA-N |