1,1-dibenzyl-3-[(Z)-pyridin-3-ylmethylideneamino]urea
Formula:C21H20N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,1-dibenzyl-3-[(Z)-pyridin-3-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1,1-dibenzyl-3-[(Z)-pyridin-3-ylmethylideneamino]urea |
| MolecularFormula | C21H20N4O |
| Smiles | O=C(N/N=C\c1cnccc1)N(Cc1ccccc1)Cc1ccccc1 |
| InChI | InChI=1S/C21H20N4O/c26-21(24-23-15-20-12-7-13-22-14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2,(H,24,26) |
| InChIK | KXQYILQPJBKGPX-UHFFFAOYSA-N |
| TotalMolweight | 344.417 |
| Molweight | 344.417 |
| MonoisotopicMass | 344.163711 |
| CLogP | 3.5886 |
| CLogS | -4.219 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.33 |
| Relative PSA | 0.17834 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 5.7812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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