3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K821-0359 |
| Compound Name: | 3-[(2-fluorophenyl)methyl]-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 507.54 |
| Molecular Formula: | C25 H22 F N5 O4 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3F)C=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9809 |
| logD: | 3.9809 |
| logSw: | -4.1682 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.531 |
| InChI Key: | DDGZOVXRULFCAR-UHFFFAOYSA-N |