1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Formula:C23H18N8O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide |
| MolecularFormula | C23H18N8O3S |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc2ccccc2)=O)c1-c1cccs1 |
| InChI | InChI=1S/C23H18N8O3S/c24-21-22(29-34-28-21)31-20(18-7-4-12-35-18)19(26-30-31)23(32)27-25-13-15-8-10-17(11-9-15)33-14-16-5-2-1-3-6-16/h1-13H,14H2,(H2,24,28)(H,27,32) |
| InChIK | FEOXPRIXJFMYPA-UHFFFAOYSA-N |
| TotalMolweight | 486.515 |
| Molweight | 486.515 |
| MonoisotopicMass | 486.122257 |
| CLogP | 4.8172 |
| CLogS | -4.468 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 368.42 |
| Relative PSA | 0.39764 |
| PolarSurfaceArea | 174.58 |
| Druglikeness | 3.2929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
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