7-methyl-2-[2-(3-nitrophenyl)ethenyl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-methyl-2-[2-(3-nitrophenyl)ethenyl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
7-methyl-2-[2-(3-nitrophenyl)ethenyl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3161-0499 |
| Compound Name: | 7-methyl-2-[2-(3-nitrophenyl)ethenyl]-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C18 H18 N4 O3 S |
| Smiles: | CN1CCc2c3C(NC(/C=C\c4cccc(c4)[N+]([O-])=O)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.615 |
| logD: | 1.6779 |
| logSw: | -3.0126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.203 |
| InChI Key: | QOCHASNCRCUSRF-OAHLLOKOSA-N |