1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide
Formula:C26H23N9O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide |
| MolecularFormula | C26H23N9O3 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc2ccccc2)=O)c1CNc1ccccc1 |
| InChI | InChI=1S/C26H23N9O3/c27-24-25(33-38-32-24)35-22(16-28-20-9-5-2-6-10-20)23(30-34-35)26(36)31-29-15-18-11-13-21(14-12-18)37-17-19-7-3-1-4-8-19/h1-15,28H,16-17H2,(H2,27,32)(H,31,36) |
| InChIK | AXVNVDRVIWKXAX-UHFFFAOYSA-N |
| TotalMolweight | 509.529 |
| Molweight | 509.529 |
| MonoisotopicMass | 509.192386 |
| CLogP | 4.1626 |
| CLogS | -4.176 |
| H Acceptors | 12 |
| H Donors | 3 |
| TotalSurfaceArea | 397.7 |
| Relative PSA | 0.34599 |
| PolarSurfaceArea | 158.37 |
| Druglikeness | 2.1553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| 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)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide
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