1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
Formula:C17H17N9O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide |
| MolecularFormula | C17H17N9O3Cl2 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)c1CN1CCOCC1 |
| InChI | InChI=1S/C17H17Cl2N9O3/c18-11-2-1-10(12(19)7-11)8-21-23-17(29)14-13(9-27-3-5-30-6-4-27)28(26-22-14)16-15(20)24-31-25-16/h1-2,7-8H,3-6,9H2,(H2,20,24)(H,23,29) |
| InChIK | NGYXEYBLJALVJZ-UHFFFAOYSA-N |
| TotalMolweight | 466.288 |
| Molweight | 466.288 |
| MonoisotopicMass | 465.08314 |
| CLogP | 2.5533 |
| CLogS | -2.505 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 335.64 |
| Relative PSA | 0.3864 |
| PolarSurfaceArea | 149.58 |
| Druglikeness | 2.4475 |
| 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 | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
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