N-[(Z)-benzylideneamino]-N',N'-diphenylbutanediamide
Formula:C23H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-N',N'-diphenylbutanediamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-N',N'-diphenylbutanediamide |
| MolecularFormula | C23H21N3O2 |
| Smiles | O=C(CCC(N(c1ccccc1)c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H21N3O2/c27-22(25-24-18-19-10-4-1-5-11-19)16-17-23(28)26(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,27) |
| InChIK | TYFNDIVSRPJRRI-UHFFFAOYSA-N |
| TotalMolweight | 371.439 |
| Molweight | 371.439 |
| MonoisotopicMass | 371.163377 |
| CLogP | 3.9611 |
| CLogS | -6.061 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.32 |
| Relative PSA | 0.17399 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 3.9647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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