1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Formula:C16H11N8O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide |
| MolecularFormula | C16H11N8O2FS |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cc(F)ccc2)=O)c1-c1cccs1 |
| InChI | InChI=1S/C16H11FN8O2S/c17-10-4-1-3-9(7-10)8-19-21-16(26)12-13(11-5-2-6-28-11)25(24-20-12)15-14(18)22-27-23-15/h1-8H,(H2,18,22)(H,21,26) |
| InChIK | BSUKNMGCCPZILN-UHFFFAOYSA-N |
| TotalMolweight | 398.381 |
| Molweight | 398.381 |
| MonoisotopicMass | 398.07097 |
| CLogP | 3.5699 |
| CLogS | -3.441 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 291.25 |
| Relative PSA | 0.46867 |
| PolarSurfaceArea | 165.35 |
| Druglikeness | 2.166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
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