N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Formula:C25H25N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide |
| MolecularFormula | C25H25N4OBr |
| Smiles | O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C25H25BrN4O/c26-23-12-8-20(9-13-23)18-27-28-25(31)22-10-6-21(7-11-22)19-29-14-16-30(17-15-29)24-4-2-1-3-5-24/h1-13,18H,14-17,19H2,(H,28,31) |
| InChIK | ZMMUDNHWCOPRRA-UHFFFAOYSA-N |
| TotalMolweight | 477.405 |
| Molweight | 477.405 |
| MonoisotopicMass | 476.121172 |
| CLogP | 5.1233 |
| CLogS | -5.483 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 341.28 |
| Relative PSA | 0.12632 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 7.204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off