1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Formula:C19H20N8O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide |
| MolecularFormula | C19H20N8O2S |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\C2CC=CCC2)=O)c1CSc1ccccc1 |
| InChI | InChI=1S/C19H20N8O2S/c20-17-18(25-29-24-17)27-15(12-30-14-9-5-2-6-10-14)16(22-26-27)19(28)23-21-11-13-7-3-1-4-8-13/h1-3,5-6,9-11,13H,4,7-8,12H2,(H2,20,24)(H,23,28)/t13-/m1/s1 |
| InChIK | OKENHGZCCKZUFV-CYBMUJFWSA-N |
| TotalMolweight | 424.488 |
| Molweight | 424.488 |
| MonoisotopicMass | 424.142992 |
| CLogP | 3.0248 |
| CLogS | -3.731 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 327.23 |
| Relative PSA | 0.40837 |
| PolarSurfaceArea | 162.41 |
| Druglikeness | -2.7311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
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