N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Formula:C24H17N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide |
| MolecularFormula | C24H17N4O2F3 |
| Smiles | O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C24H17F3N4O2/c25-24(26,27)22-21(16-29-31(22)18-9-3-1-4-10-18)23(32)30-28-15-17-8-7-13-20(14-17)33-19-11-5-2-6-12-19/h1-16H,(H,30,32) |
| InChIK | HAVFRFQHVNLRGV-UHFFFAOYSA-N |
| TotalMolweight | 450.419 |
| Molweight | 450.419 |
| MonoisotopicMass | 450.13036 |
| CLogP | 4.6683 |
| CLogS | -6.555 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.93 |
| Relative PSA | 0.19121 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -0.8524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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