2-(4-bromophenyl)-N-(3-chlorophenyl)-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-bromophenyl)-N-(3-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
2-(4-bromophenyl)-N-(3-chlorophenyl)-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: | K310-0098 |
| Compound Name: | 2-(4-bromophenyl)-N-(3-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 545.86 |
| Molecular Formula: | C22 H14 Br Cl N4 O2 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1cccc(c1)[Cl])=O)SCC(c1ccc(cc1)[Br])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.93 |
| logD: | 5.8645 |
| logSw: | -6.2035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.557 |
| InChI Key: | PMAQCAKAYUFMRZ-UHFFFAOYSA-N |