1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]triazole-4-carboxamide
Formula:C19H15N9O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]triazole-4-carboxamide |
| MolecularFormula | C19H15N9O2Cl2 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)c1CNc1ccccc1 |
| InChI | InChI=1S/C19H15Cl2N9O2/c20-13-7-4-8-14(21)12(13)9-24-26-19(31)16-15(10-23-11-5-2-1-3-6-11)30(29-25-16)18-17(22)27-32-28-18/h1-9,23H,10H2,(H2,22,27)(H,26,31) |
| InChIK | DPYHRSNYDLBTJM-UHFFFAOYSA-N |
| TotalMolweight | 472.295 |
| Molweight | 472.295 |
| MonoisotopicMass | 471.072575 |
| CLogP | 4.0265 |
| CLogS | -4.307 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 345.02 |
| Relative PSA | 0.36983 |
| PolarSurfaceArea | 149.14 |
| Druglikeness | 2.4386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]triazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off