1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide
Formula:C19H13N8O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide |
| MolecularFormula | C19H13N8O4Cl |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2Cl)=O)c1-c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H13ClN8O4/c20-12-4-1-10(2-5-12)8-22-24-19(29)15-16(11-3-6-13-14(7-11)31-9-30-13)28(27-23-15)18-17(21)25-32-26-18/h1-8H,9H2,(H2,21,25)(H,24,29) |
| InChIK | HWUVXYDDUDXJCZ-UHFFFAOYSA-N |
| TotalMolweight | 452.817 |
| Molweight | 452.817 |
| MonoisotopicMass | 452.074829 |
| CLogP | 4.163 |
| CLogS | -4.653 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 324.64 |
| Relative PSA | 0.41936 |
| PolarSurfaceArea | 155.57 |
| Druglikeness | 1.9105 |
| 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 | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off