7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
Chemical Structure Depiction of
7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
Compound characteristics
| Compound ID: | C367-0112 |
| Compound Name: | 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N3C=CC=C(C3=Nc1s2)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5688 |
| logD: | 3.5688 |
| logSw: | -3.9621 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.618 |
| InChI Key: | FNFJRIQSSIUHDC-UHFFFAOYSA-N |