N-(4-bromophenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
Formula:C18H17N3O2BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C18H17N3O2BrCl |
| Smiles | O=C(CCCC(N/N=C\c(cccc1)c1Cl)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C18H17BrClN3O2/c19-14-8-10-15(11-9-14)22-17(24)6-3-7-18(25)23-21-12-13-4-1-2-5-16(13)20/h1-2,4-5,8-12H,3,6-7H2,(H,22,24)(H,23,25) |
| InChIK | GRZMCYXIAJRAKB-UHFFFAOYSA-N |
| TotalMolweight | 422.709 |
| Molweight | 422.709 |
| MonoisotopicMass | 421.019265 |
| CLogP | 4.8383 |
| CLogS | -5.905 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.53 |
| Relative PSA | 0.20756 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -2.4579 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
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