1-phenyl-3-[(Z)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
Formula:C23H22N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-3-[(Z)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea is a drug-like molecule.
| MolName | 1-phenyl-3-[(Z)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea |
| MolecularFormula | C23H22N6O2 |
| Smiles | O=C(Nc1ccccc1)N/N=C\C/C(/c1ccccc1)=N/NC(Nc1ccccc1)=O |
| InChI | InChI=1S/C23H22N6O2/c30-22(25-19-12-6-2-7-13-19)28-24-17-16-21(18-10-4-1-5-11-18)27-29-23(31)26-20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,25,28,30)(H2,26,29,31) |
| InChIK | ZVWJPALHQZGVDT-UHFFFAOYSA-N |
| TotalMolweight | 414.468 |
| Molweight | 414.468 |
| MonoisotopicMass | 414.180424 |
| CLogP | 4.0514 |
| CLogS | -6.872 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 335.61 |
| Relative PSA | 0.28289 |
| PolarSurfaceArea | 106.98 |
| Druglikeness | 4.0465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - 1-phenyl-3-[(Z)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea | 2 - 1-phenyl-3-[(Z)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
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