N',N'-diphenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
Formula:C30H27N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N',N'-diphenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N',N'-diphenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C30H27N3O3 |
| Smiles | O=C(CCC(N(c1ccccc1)c1ccccc1)=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C30H27N3O3/c34-29(19-20-30(35)33(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32-31-22-25-13-10-18-28(21-25)36-23-24-11-4-1-5-12-24/h1-18,21-22H,19-20,23H2,(H,32,34) |
| InChIK | VNHZPTUAOQTFBR-UHFFFAOYSA-N |
| TotalMolweight | 477.562 |
| Molweight | 477.562 |
| MonoisotopicMass | 477.205242 |
| CLogP | 5.3092 |
| CLogS | -7.402 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 385.84 |
| Relative PSA | 0.16224 |
| PolarSurfaceArea | 71 |
| Druglikeness | 3.6788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - N',N'-diphenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide | 2 - N',N'-diphenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
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