7-ethyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-ethyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
7-ethyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y202-7540 |
| Compound Name: | 7-ethyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCN1CCc2c3C(NC(c4ccc(c5ccc(cc5C)[N+]([O-])=O)o4)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.91 |
| logD: | 2.8343 |
| logSw: | -4.2259 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.451 |
| InChI Key: | SDURSGHJSODHDZ-HXUWFJFHSA-N |