N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
Formula:C25H16N5O2F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C25H16N5O2F3S |
| Smiles | Oc1cccc(/C=N\NC(c2csc(-n3nc(C(F)(F)F)cc3-c3cc4ccccc4cc3)n2)=O)c1 |
| InChI | InChI=1S/C25H16F3N5O2S/c26-25(27,28)22-12-21(18-9-8-16-5-1-2-6-17(16)11-18)33(32-22)24-30-20(14-36-24)23(35)31-29-13-15-4-3-7-19(34)10-15/h1-14,34H,(H,31,35) |
| InChIK | FERUEHRYMUVWQK-UHFFFAOYSA-N |
| TotalMolweight | 507.495 |
| Molweight | 507.495 |
| MonoisotopicMass | 507.097679 |
| CLogP | 5.602 |
| CLogS | -6.292 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 359.58 |
| Relative PSA | 0.27332 |
| PolarSurfaceArea | 120.64 |
| Druglikeness | -4.2889 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
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