N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C24H19N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C24H19N5O3 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C24H19N5O3/c30-23(15-18-11-13-22(14-12-18)29(31)32)26-25-16-20-17-28(21-9-5-2-6-10-21)27-24(20)19-7-3-1-4-8-19/h1-14,16-17H,15H2,(H,26,30) |
| InChIK | BKJYSDPWRMXMMS-UHFFFAOYSA-N |
| TotalMolweight | 425.447 |
| Molweight | 425.447 |
| MonoisotopicMass | 425.14879 |
| CLogP | 3.1971 |
| CLogS | -5.659 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 331.9 |
| Relative PSA | 0.2539 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | 0.74057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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