N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
Formula:C18H12N6OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide |
| MolecularFormula | C18H12N6OF6 |
| Smiles | O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H12F6N6O/c19-17(20,21)13-6-4-11(5-7-13)9-25-26-15(31)10-30-28-16(27-29-30)12-2-1-3-14(8-12)18(22,23)24/h1-9H,10H2,(H,26,31) |
| InChIK | TTZQCMDTGIMRJR-UHFFFAOYSA-N |
| TotalMolweight | 442.322 |
| Molweight | 442.322 |
| MonoisotopicMass | 442.097677 |
| CLogP | 4.2095 |
| CLogS | -5.345 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.91 |
| Relative PSA | 0.24857 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -6.1515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide | 2 - N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
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