2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
Formula:C23H23N5OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H23N5OClFS |
| Smiles | O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C23H23ClFN5OS/c24-18-11-9-17(10-12-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-5-4-6-19(25)13-16/h4-6,9-14,20H,1-3,7-8,15H2,(H,27,31) |
| InChIK | WJSIKQCTSXQNLR-UHFFFAOYSA-N |
| TotalMolweight | 471.987 |
| Molweight | 471.987 |
| MonoisotopicMass | 471.129585 |
| CLogP | 5.7528 |
| CLogS | -6.656 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.29 |
| Relative PSA | 0.23232 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | -0.976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
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