N-benzyl-1-[(Z)-(4-fluorophenyl)methylideneamino]-5-oxo-2H-triazole-4-carboxamide
Formula:C17H14N5O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-1-[(Z)-(4-fluorophenyl)methylideneamino]-5-oxo-2H-triazole-4-carboxamide is a drug-like molecule.
| MolName | N-benzyl-1-[(Z)-(4-fluorophenyl)methylideneamino]-5-oxo-2H-triazole-4-carboxamide |
| MolecularFormula | C17H14N5O2F |
| Smiles | O=C(C(C1=O)=NNN1/N=C\c(cc1)ccc1F)NCc1ccccc1 |
| InChI | InChI=1S/C17H14FN5O2/c18-14-8-6-13(7-9-14)11-20-23-17(25)15(21-22-23)16(24)19-10-12-4-2-1-3-5-12/h1-9,11,22H,10H2,(H,19,24) |
| InChIK | CLEJKTLSFITKKA-UHFFFAOYSA-N |
| TotalMolweight | 339.329 |
| Molweight | 339.329 |
| MonoisotopicMass | 339.113153 |
| CLogP | 2.615 |
| CLogS | -3.229 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.08 |
| Relative PSA | 0.2951 |
| PolarSurfaceArea | 86.16 |
| Druglikeness | 4.6154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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