ethyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
ethyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
| Compound ID: | K310-0028 |
| Compound Name: | ethyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C18 H14 Br N3 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1ccc(cc1)[Br])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5343 |
| logD: | 4.5297 |
| logSw: | -4.3748 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.219 |
| InChI Key: | LCXYLUAXOVWUCM-UHFFFAOYSA-N |