N-[(Z)-(3-bromophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Formula:C24H18N4O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H18N4O2BrCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C24H18BrClN4O2/c25-19-3-1-2-17(12-19)14-27-30-24(31)23-13-22(28-29-23)18-6-10-21(11-7-18)32-15-16-4-8-20(26)9-5-16/h1-14H,15H2,(H,28,29)(H,30,31) |
| InChIK | VUYIYWDAXZFKBX-UHFFFAOYSA-N |
| TotalMolweight | 509.79 |
| Molweight | 509.79 |
| MonoisotopicMass | 508.030164 |
| CLogP | 5.5787 |
| CLogS | -7.007 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 352.65 |
| Relative PSA | 0.20125 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-bromophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off