1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
Formula:C26H21N8O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide |
| MolecularFormula | C26H21N8O4Cl |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cccc(OCc(cccc3)c3Cl)c2)=O)c1COc1ccccc1 |
| InChI | InChI=1S/C26H21ClN8O4/c27-21-12-5-4-8-18(21)15-37-20-11-6-7-17(13-20)14-29-31-26(36)23-22(16-38-19-9-2-1-3-10-19)35(34-30-23)25-24(28)32-39-33-25/h1-14H,15-16H2,(H2,28,32)(H,31,36) |
| InChIK | FEEYQFMAJQIPIQ-UHFFFAOYSA-N |
| TotalMolweight | 544.958 |
| Molweight | 544.958 |
| MonoisotopicMass | 544.137429 |
| CLogP | 5.0516 |
| CLogS | -4.87 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 411.66 |
| Relative PSA | 0.33071 |
| PolarSurfaceArea | 155.57 |
| Druglikeness | 1.7579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
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