2-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-7-ethyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-7-ethyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
2-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-7-ethyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 6049-0154 |
| Compound Name: | 2-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-7-ethyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 478.4 |
| Molecular Formula: | C22 H21 Cl2 N3 O3 S |
| Smiles: | CCN1CCc2c3C(NC(c4ccc(COc5ccc(c(c5)[Cl])[Cl])o4)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.773 |
| logD: | 3.6973 |
| logSw: | -5.0728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.739 |
| InChI Key: | QCVIRPUYBZGICY-HXUWFJFHSA-N |