2-(3-bromophenyl)-N-(4-methoxyphenyl)-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-(3-bromophenyl)-N-(4-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
2-(3-bromophenyl)-N-(4-methoxyphenyl)-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: | K310-0083 |
| Compound Name: | 2-(3-bromophenyl)-N-(4-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 541.44 |
| Molecular Formula: | C23 H17 Br N4 O3 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc(cc1)OC)=O)SCC(c1cccc(c1)[Br])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.148 |
| logD: | 5.1414 |
| logSw: | -5.1948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.101 |
| InChI Key: | WKWCBHNLUNMWLD-UHFFFAOYSA-N |