N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
Formula:C28H20N4O2Cl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C28H20N4O2Cl2 |
| Smiles | O=C(c1cc(-c(cccc2)c2OCc2cccc3ccccc23)n[nH]1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C28H20Cl2N4O2/c29-21-13-12-19(24(30)14-21)16-31-34-28(35)26-15-25(32-33-26)23-10-3-4-11-27(23)36-17-20-8-5-7-18-6-1-2-9-22(18)20/h1-16H,17H2,(H,32,33)(H,34,35) |
| InChIK | NRWFOCQHJNDCGZ-UHFFFAOYSA-N |
| TotalMolweight | 515.399 |
| Molweight | 515.399 |
| MonoisotopicMass | 514.09633 |
| CLogP | 6.6539 |
| CLogS | -8.515 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 384.04 |
| Relative PSA | 0.1848 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 5.365 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(2,4-dichlorophenyl)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