N-benzyl-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
Formula:C29H27N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-benzyl-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide |
| MolecularFormula | C29H27N3O3 |
| Smiles | O=C(CCC(N/N=C\c(c1ccccc1cc1)c1OCc1ccccc1)=O)NCc1ccccc1 |
| InChI | InChI=1S/C29H27N3O3/c33-28(30-19-22-9-3-1-4-10-22)17-18-29(34)32-31-20-26-25-14-8-7-13-24(25)15-16-27(26)35-21-23-11-5-2-6-12-23/h1-16,20H,17-19,21H2,(H,30,33)(H,32,34) |
| InChIK | DJWQPXNQIMHQTA-UHFFFAOYSA-N |
| TotalMolweight | 465.551 |
| Molweight | 465.551 |
| MonoisotopicMass | 465.205242 |
| CLogP | 5.3046 |
| CLogS | -6.828 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 375.6 |
| Relative PSA | 0.18773 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.7076 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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