N-benzyl-N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Formula:C29H22N4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline |
| MolecularFormula | C29H22N4Cl2 |
| Smiles | Clc(cc1)cc(Cl)c1-c(c(/C=N\N(Cc1ccccc1)c1ccccc1)c1)nn1-c1ccccc1 |
| InChI | InChI=1S/C29H22Cl2N4/c30-24-16-17-27(28(31)18-24)29-23(21-35(33-29)26-14-8-3-9-15-26)19-32-34(25-12-6-2-7-13-25)20-22-10-4-1-5-11-22/h1-19,21H,20H2 |
| InChIK | LWMRSOQPFOFROR-UHFFFAOYSA-N |
| TotalMolweight | 497.428 |
| Molweight | 497.428 |
| MonoisotopicMass | 496.12215 |
| CLogP | 7.1028 |
| CLogS | -7.287 |
| H Acceptors | 4 |
| TotalSurfaceArea | 379.92 |
| Relative PSA | 0.086597 |
| PolarSurfaceArea | 33.42 |
| Druglikeness | 4.4229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline | 2 - N-benzyl-N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off