1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide
Formula:C19H14N8O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-hydroxyphenyl)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)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide |
| MolecularFormula | C19H14N8O5 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cc(O)ccc2)=O)c1-c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H14N8O5/c20-17-18(25-32-24-17)27-16(11-4-5-13-14(7-11)31-9-30-13)15(22-26-27)19(29)23-21-8-10-2-1-3-12(28)6-10/h1-8,28H,9H2,(H2,20,24)(H,23,29) |
| InChIK | GKTLHGLVQXOGMN-UHFFFAOYSA-N |
| TotalMolweight | 434.371 |
| Molweight | 434.371 |
| MonoisotopicMass | 434.108717 |
| CLogP | 3.2113 |
| CLogS | -3.621 |
| H Acceptors | 13 |
| H Donors | 3 |
| TotalSurfaceArea | 315.57 |
| Relative PSA | 0.47292 |
| PolarSurfaceArea | 175.8 |
| Druglikeness | 1.8726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| 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 | 4 |
| 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)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide
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