4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 3-bromobenzoate
Chemical Structure Depiction of
4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 3-bromobenzoate
4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 3161-0488 |
| Compound Name: | 4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 3-bromobenzoate |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C23 H20 Br N3 O3 S |
| Smiles: | CN1CCc2c3C(NC(c4ccc(cc4)OC(c4cccc(c4)[Br])=O)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7158 |
| logD: | 2.7787 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.988 |
| InChI Key: | IMJGKMORAJVNMO-HXUWFJFHSA-N |