N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:C23H22N5OBrClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| MolecularFormula | C23H22N5OBrClFS |
| Smiles | O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C23H22BrClFN5OS/c24-17-8-11-20(26)16(12-17)13-27-28-21(32)14-33-23-30-29-22(15-6-9-18(25)10-7-15)31(23)19-4-2-1-3-5-19/h6-13,19H,1-5,14H2,(H,28,32) |
| InChIK | ULTBZVWZYXQSGL-UHFFFAOYSA-N |
| TotalMolweight | 550.883 |
| Molweight | 550.883 |
| MonoisotopicMass | 549.040096 |
| CLogP | 6.478 |
| CLogS | -7.49 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 372.92 |
| Relative PSA | 0.22072 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | -2.766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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