1-[4-(1-adamantyl)phenyl]-3-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]urea
Formula:C29H36N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[4-(1-adamantyl)phenyl]-3-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]urea is not a drug-like molecule.
| MolName | 1-[4-(1-adamantyl)phenyl]-3-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]urea |
| MolecularFormula | C29H36N4O |
| Smiles | O=C(Nc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C29H36N4O/c34-28(32-30-20-21-4-10-27(11-5-21)33-12-2-1-3-13-33)31-26-8-6-25(7-9-26)29-17-22-14-23(18-29)16-24(15-22)19-29/h4-11,20,22-24H,1-3,12-19H2,(H2,31,32,34) |
| InChIK | OIPIVQAKJUGBGQ-UHFFFAOYSA-N |
| TotalMolweight | 456.632 |
| Molweight | 456.632 |
| MonoisotopicMass | 456.288911 |
| CLogP | 6.1588 |
| CLogS | -7.937 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 354.02 |
| Relative PSA | 0.14412 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | 4.0901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 12 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[4-(1-adamantyl)phenyl]-3-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]urea | 2 - 1-[4-(1-adamantyl)phenyl]-3-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off