2-(4-bromophenyl)-N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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: | K310-0088 |
| Compound Name: | 2-(4-bromophenyl)-N-(2,3-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 539.47 |
| Molecular Formula: | C24 H19 Br N4 O2 S2 |
| Smiles: | Cc1cccc(c1C)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1ccc(cc1)[Br])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0051 |
| logD: | 5.9995 |
| logSw: | -5.5592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.859 |
| InChI Key: | WHIBWYQLKPPEGG-UHFFFAOYSA-N |