5,5-diphenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4-dihydropyrazole-3-carboxamide
Formula:C25H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5,5-diphenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4-dihydropyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5,5-diphenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4-dihydropyrazole-3-carboxamide |
| MolecularFormula | C25H22N4O |
| Smiles | O=C(C(C1)=NNC1(c1ccccc1)c1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C25H22N4O/c30-24(28-26-18-10-13-20-11-4-1-5-12-20)23-19-25(29-27-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18,29H,19H2,(H,28,30) |
| InChIK | MMQMDQLXIXGUSZ-UHFFFAOYSA-N |
| TotalMolweight | 394.477 |
| Molweight | 394.477 |
| MonoisotopicMass | 394.179361 |
| CLogP | 3.9999 |
| CLogS | -5.593 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 318.35 |
| Relative PSA | 0.18527 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 6.0545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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