N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
Formula:C20H23N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide |
| MolecularFormula | C20H23N4OBr |
| Smiles | O=C(CCN(CC1)CCN1c1ccccc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C20H23BrN4O/c21-19-9-5-4-6-17(19)16-22-23-20(26)10-11-24-12-14-25(15-13-24)18-7-2-1-3-8-18/h1-9,16H,10-15H2,(H,23,26) |
| InChIK | BBZKHHMRGDHYAO-UHFFFAOYSA-N |
| TotalMolweight | 415.334 |
| Molweight | 415.334 |
| MonoisotopicMass | 414.105522 |
| CLogP | 3.8045 |
| CLogS | -4.192 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.28 |
| Relative PSA | 0.146 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 8.4918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| 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 | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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