N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(trifluoromethyl)aniline
Formula:C21H15N4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C21H15N4F3S |
| Smiles | FC(c(cccc1)c1N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)(F)F |
| InChI | InChI=1S/C21H15F3N4S/c22-21(23,24)17-9-4-5-10-18(17)26-25-13-15-14-28(16-7-2-1-3-8-16)27-20(15)19-11-6-12-29-19/h1-14,26H |
| InChIK | KUMFZEJHSOBYCO-UHFFFAOYSA-N |
| TotalMolweight | 412.438 |
| Molweight | 412.438 |
| MonoisotopicMass | 412.09695 |
| CLogP | 6.6317 |
| CLogS | -5.361 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 302.12 |
| Relative PSA | 0.20247 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | -1.6715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(trifluoromethyl)aniline | 2 - N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(trifluoromethyl)aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off