4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
Chemical Structure Depiction of
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
Compound characteristics
| Compound ID: | 5510-0896 |
| Compound Name: | 4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl benzoate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CN1CCc2c3C(=NC(c4ccc(cc4)OC(c4ccccc4)=O)Nc3sc2C1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3397 |
| logD: | 2.9629 |
| logSw: | -3.8254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.397 |
| InChI Key: | XIXPDNXVGNKHLQ-HXUWFJFHSA-N |