3-(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 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-(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 3,4,5-trimethoxybenzoate
3-(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 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 3161-0492 |
| Compound Name: | 3-(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 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C26 H27 N3 O6 S |
| Smiles: | CN1CCc2c3C(NC(c4cccc(c4)OC(c4cc(c(c(c4)OC)OC)OC)=O)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3021 |
| logD: | 1.3651 |
| logSw: | -3.1236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.965 |
| InChI Key: | QXDOJVPCXYSKSD-HSZRJFAPSA-N |