9-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
9-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C243-0385 |
| Compound Name: | 9-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | CC1=CC=CN2C1=Nc1c(cc(C(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)s1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.2907 |
| logD: | 3.2907 |
| logSw: | -3.5525 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.698 |
| InChI Key: | KMTDRZQUSMBYNA-UHFFFAOYSA-N |