2-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,4-dihydropyridazin-3-one
Formula:C20H20N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,4-dihydropyridazin-3-one is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,4-dihydropyridazin-3-one |
| MolecularFormula | C20H20N5O2Cl |
| Smiles | O=C(C(NN1c(cc2)ccc2Cl)=CCC1=O)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C20H20ClN5O2/c21-15-4-6-16(7-5-15)26-19(27)9-8-17(23-26)20(28)25-13-11-24(12-14-25)18-3-1-2-10-22-18/h1-8,10,23H,9,11-14H2 |
| InChIK | DIQGKFWNOXBEPM-UHFFFAOYSA-N |
| TotalMolweight | 397.865 |
| Molweight | 397.865 |
| MonoisotopicMass | 397.130552 |
| CLogP | 1.3802 |
| CLogS | -3.249 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.57 |
| Relative PSA | 0.2029 |
| PolarSurfaceArea | 68.78 |
| Druglikeness | 8.3968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,4-dihydropyridazin-3-one | 2 - 2-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,4-dihydropyridazin-3-one
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