N'-[(Z)-benzylideneamino]-N-(4-bromophenyl)pentanediamide
Formula:C18H18N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-(4-bromophenyl)pentanediamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-(4-bromophenyl)pentanediamide |
| MolecularFormula | C18H18N3O2Br |
| Smiles | O=C(CCCC(N/N=C\c1ccccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C18H18BrN3O2/c19-15-9-11-16(12-10-15)21-17(23)7-4-8-18(24)22-20-13-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,21,23)(H,22,24) |
| InChIK | LIOQCTTVNWEFIH-UHFFFAOYSA-N |
| TotalMolweight | 388.264 |
| Molweight | 388.264 |
| MonoisotopicMass | 387.058238 |
| CLogP | 4.2323 |
| CLogS | -5.169 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.11 |
| Relative PSA | 0.21915 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -2.4883 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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