methyl 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
methyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
methyl 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: | K310-0002 |
| Compound Name: | methyl 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: | 450.33 |
| Molecular Formula: | C17 H12 Br N3 O3 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(=O)OC)SCC(c1ccc(cc1)[Br])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1146 |
| logD: | 4.11 |
| logSw: | -4.4155 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.639 |
| InChI Key: | ARLYHPBJJJMZEL-UHFFFAOYSA-N |