1-(1-adamantyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]urea
Formula:C24H27N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1-adamantyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-(1-adamantyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]urea |
| MolecularFormula | C24H27N3O2 |
| Smiles | O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C24H27N3O2/c28-23(26-24-13-18-9-19(14-24)11-20(10-18)15-24)27-25-16-17-5-4-8-22(12-17)29-21-6-2-1-3-7-21/h1-8,12,16,18-20H,9-11,13-15H2,(H2,26,27,28) |
| InChIK | XADDMBMHVQRTBX-UHFFFAOYSA-N |
| TotalMolweight | 389.497 |
| Molweight | 389.497 |
| MonoisotopicMass | 389.210327 |
| CLogP | 4.9576 |
| CLogS | -7.362 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 298.42 |
| Relative PSA | 0.19258 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 4.5634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 1-(1-adamantyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]urea | 2 - 1-(1-adamantyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]urea
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