2-[5-(3,4-dichlorophenyl)furan-2-yl]-7-methyl-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-dichlorophenyl)furan-2-yl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
2-[5-(3,4-dichlorophenyl)furan-2-yl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3161-0482 |
| Compound Name: | 2-[5-(3,4-dichlorophenyl)furan-2-yl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 434.34 |
| Molecular Formula: | C20 H17 Cl2 N3 O2 S |
| Smiles: | CN1CCc2c3C(NC(c4ccc(c5ccc(c(c5)[Cl])[Cl])o4)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2076 |
| logD: | 3.2705 |
| logSw: | -4.8309 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.009 |
| InChI Key: | YKGZEKDUDOKSPX-GOSISDBHSA-N |