1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Formula:C19H16N8O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide |
| MolecularFormula | C19H16N8O3S |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cc(O)ccc2)=O)c1CSc1ccccc1 |
| InChI | InChI=1S/C19H16N8O3S/c20-17-18(25-30-24-17)27-15(11-31-14-7-2-1-3-8-14)16(22-26-27)19(29)23-21-10-12-5-4-6-13(28)9-12/h1-10,28H,11H2,(H2,20,24)(H,23,29) |
| InChIK | UIYLFLOWUKWFIS-UHFFFAOYSA-N |
| TotalMolweight | 436.455 |
| Molweight | 436.455 |
| MonoisotopicMass | 436.106607 |
| CLogP | 3.3651 |
| CLogS | -3.585 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 326.56 |
| Relative PSA | 0.44932 |
| PolarSurfaceArea | 182.64 |
| Druglikeness | 2.2608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
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