1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Formula:C16H10N8O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide |
| MolecularFormula | C16H10N8O2Cl2S |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)c1-c1cccs1 |
| InChI | InChI=1S/C16H10Cl2N8O2S/c17-9-4-3-8(10(18)6-9)7-20-22-16(27)12-13(11-2-1-5-29-11)26(25-21-12)15-14(19)23-28-24-15/h1-7H,(H2,19,23)(H,22,27) |
| InChIK | HRPOSWPKHYDFKT-UHFFFAOYSA-N |
| TotalMolweight | 449.281 |
| Molweight | 449.281 |
| MonoisotopicMass | 448.002446 |
| CLogP | 4.6811 |
| CLogS | -4.599 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 315.74 |
| Relative PSA | 0.43232 |
| PolarSurfaceArea | 165.35 |
| Druglikeness | 3.5364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
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