N-(4-chlorophenyl)-N'-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
Formula:C25H23N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-N'-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-N'-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide |
| MolecularFormula | C25H23N3O3Cl2 |
| Smiles | O=C(CCCC(N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl)=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H23Cl2N3O3/c26-20-10-12-21(13-11-20)29-24(31)6-3-7-25(32)30-28-16-18-8-14-22(15-9-18)33-17-19-4-1-2-5-23(19)27/h1-2,4-5,8-16H,3,6-7,17H2,(H,29,31)(H,30,32) |
| InChIK | NXUMIDVZURWWKX-UHFFFAOYSA-N |
| TotalMolweight | 484.382 |
| Molweight | 484.382 |
| MonoisotopicMass | 483.111646 |
| CLogP | 6.0672 |
| CLogS | -7.148 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 371.84 |
| Relative PSA | 0.18962 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -0.9427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-N'-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide | 2 - N-(4-chlorophenyl)-N'-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
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