1-(1-adamantyl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea
Formula:C18H22N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1-adamantyl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-(1-adamantyl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea |
| MolecularFormula | C18H22N3OBr |
| Smiles | O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H22BrN3O/c19-16-3-1-12(2-4-16)11-20-22-17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H2,21,22,23) |
| InChIK | JARWKSWJGGKSKX-UHFFFAOYSA-N |
| TotalMolweight | 376.297 |
| Molweight | 376.297 |
| MonoisotopicMass | 375.094623 |
| CLogP | 4.2872 |
| CLogS | -5.899 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 247.29 |
| Relative PSA | 0.19196 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 2.8427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 1-(1-adamantyl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea | 2 - 1-(1-adamantyl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea
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