N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
Formula:C20H24N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide |
| MolecularFormula | C20H24N4OBr |
| Smiles | O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C20H23BrN4O/c21-18-8-6-17(7-9-18)16-22-23-20(26)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,23,26)/p+1 |
| InChIK | LAZOMGWBFGTZJI-UHFFFAOYSA-O |
| TotalMolweight | 416.342 |
| Molweight | 416.342 |
| MonoisotopicMass | 415.113347 |
| CLogP | 1.6948 |
| CLogS | -4.192 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 309.32 |
| Relative PSA | 0.18476 |
| PolarSurfaceArea | 49.14 |
| Druglikeness | 4.0139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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