N-benzyl-N'-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]butanediamide
Formula:C21H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]butanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]butanediamide |
| MolecularFormula | C21H23N3O2 |
| Smiles | O=C(CCC(N/N=C(/CCC1)\c2c1cccc2)=O)NCc1ccccc1 |
| InChI | InChI=1S/C21H23N3O2/c25-20(22-15-16-7-2-1-3-8-16)13-14-21(26)24-23-19-12-6-10-17-9-4-5-11-18(17)19/h1-5,7-9,11H,6,10,12-15H2,(H,22,25)(H,24,26) |
| InChIK | FOYFEVGPNWEEHN-UHFFFAOYSA-N |
| TotalMolweight | 349.433 |
| Molweight | 349.433 |
| MonoisotopicMass | 349.179027 |
| CLogP | 3.4348 |
| CLogS | -4.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.47 |
| Relative PSA | 0.21346 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.3309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-N'-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]butanediamide | 2 - N-benzyl-N'-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]butanediamide
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