N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenylaniline
Formula:C30H22N4O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenylaniline |
| MolecularFormula | C30H22N4O |
| Smiles | C(c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=N\N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C30H22N4O/c1-4-13-25(14-5-1)33-22-24(30(32-33)29-20-23-12-10-11-19-28(23)35-29)21-31-34(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-22H |
| InChIK | ZHWTVKCCBRFVFT-UHFFFAOYSA-N |
| TotalMolweight | 454.532 |
| Molweight | 454.532 |
| MonoisotopicMass | 454.179361 |
| CLogP | 6.6904 |
| CLogS | -8.09 |
| H Acceptors | 5 |
| TotalSurfaceArea | 359.61 |
| Relative PSA | 0.13072 |
| PolarSurfaceArea | 46.56 |
| Druglikeness | 3.5465 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenylaniline | 2 - N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenylaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off