3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E213-0647 |
| Compound Name: | 3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | Cc1c2C(N3CCCCC3=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.736 |
| logD: | 2.736 |
| logSw: | -3.0579 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.581 |
| InChI Key: | MCQUZNBSIHOKQF-UHFFFAOYSA-N |