2,2-diphenyl-N-[(Z)-pyridin-4-ylmethylideneamino]cyclopropane-1-carboxamide
Formula:C22H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,2-diphenyl-N-[(Z)-pyridin-4-ylmethylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | 2,2-diphenyl-N-[(Z)-pyridin-4-ylmethylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C22H19N3O |
| Smiles | O=C(C(C1)C1(c1ccccc1)c1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C22H19N3O/c26-21(25-24-16-17-11-13-23-14-12-17)20-15-22(20,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,16,20H,15H2,(H,25,26)/t20-/m1/s1 |
| InChIK | UXTGPKGCECPZGV-HXUWFJFHSA-N |
| TotalMolweight | 341.413 |
| Molweight | 341.413 |
| MonoisotopicMass | 341.152812 |
| CLogP | 3.8069 |
| CLogS | -3.907 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.68 |
| Relative PSA | 0.17485 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.6169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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