1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]triazole-4-carboxamide
Formula:C21H18N9O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]triazole-4-carboxamide |
| MolecularFormula | C21H18N9O2F |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2F)=O)c1CN(CC1)c2c1cccc2 |
| InChI | InChI=1S/C21H18FN9O2/c22-15-7-3-1-6-14(15)11-24-26-21(32)18-17(31(29-25-18)20-19(23)27-33-28-20)12-30-10-9-13-5-2-4-8-16(13)30/h1-8,11H,9-10,12H2,(H2,23,27)(H,26,32) |
| InChIK | WIDPOUMJWZGGNS-UHFFFAOYSA-N |
| TotalMolweight | 447.433 |
| Molweight | 447.433 |
| MonoisotopicMass | 447.156749 |
| CLogP | 3.3021 |
| CLogS | -3.474 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 333.39 |
| Relative PSA | 0.35901 |
| PolarSurfaceArea | 140.35 |
| Druglikeness | 2.0658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]triazole-4-carboxamide
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