2-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-3-phenylpropanamide
Formula:C23H21N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-3-phenylpropanamide is not a drug-like molecule.
| MolName | 2-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C23H21N2OBr |
| Smiles | O=C(C(Cc1ccccc1)Cc1ccccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H21BrN2O/c24-22-13-11-20(12-14-22)17-25-26-23(27)21(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,17,21H,15-16H2,(H,26,27) |
| InChIK | IPGSZUWGKLMVBQ-UHFFFAOYSA-N |
| TotalMolweight | 421.337 |
| Molweight | 421.337 |
| MonoisotopicMass | 420.083724 |
| CLogP | 6.0395 |
| CLogS | -6.085 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 305.4 |
| Relative PSA | 0.11791 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.5155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - 2-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-3-phenylpropanamide | 2 - 2-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-3-phenylpropanamide
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