N-[(Z)-(4-fluorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
Formula:C28H21N4O2F
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C28H21N4O2F |
| Smiles | O=C(c1cc(-c(cccc2)c2OCc2cccc3ccccc23)n[nH]1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C28H21FN4O2/c29-22-14-12-19(13-15-22)17-30-33-28(34)26-16-25(31-32-26)24-10-3-4-11-27(24)35-18-21-8-5-7-20-6-1-2-9-23(20)21/h1-17H,18H2,(H,31,32)(H,33,34) |
| InChIK | NRAMMUZLIVZNPT-UHFFFAOYSA-N |
| TotalMolweight | 464.499 |
| Molweight | 464.499 |
| MonoisotopicMass | 464.164854 |
| CLogP | 5.5427 |
| CLogS | -7.357 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 359.55 |
| Relative PSA | 0.19739 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.9864 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-fluorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off