N-(2-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]pentanediamide
Formula:C18H16N3O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N-(2-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C18H16N3O2BrCl2 |
| Smiles | O=C(CCCC(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cccc1)c1Br |
| InChI | InChI=1S/C18H16BrCl2N3O2/c19-14-4-1-2-5-16(14)23-17(25)6-3-7-18(26)24-22-11-12-8-9-13(20)10-15(12)21/h1-2,4-5,8-11H,3,6-7H2,(H,23,25)(H,24,26) |
| InChIK | RUDYMOMVKKYHKH-UHFFFAOYSA-N |
| TotalMolweight | 457.154 |
| Molweight | 457.154 |
| MonoisotopicMass | 454.980292 |
| CLogP | 5.4443 |
| CLogS | -6.641 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 306.95 |
| Relative PSA | 0.19713 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -2.4579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]pentanediamide | 2 - N-(2-bromophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]pentanediamide
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