2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C23H24N5O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)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-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H24N5O2ClS |
| Smiles | Oc1cccc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2C2CCCCC2)=O)c1 |
| InChI | InChI=1S/C23H24ClN5O2S/c24-18-11-9-17(10-12-18)22-27-28-23(29(22)19-6-2-1-3-7-19)32-15-21(31)26-25-14-16-5-4-8-20(30)13-16/h4-5,8-14,19,30H,1-3,6-7,15H2,(H,26,31) |
| InChIK | KNNGEJUXVRFGTJ-UHFFFAOYSA-N |
| TotalMolweight | 469.996 |
| Molweight | 469.996 |
| MonoisotopicMass | 469.133922 |
| CLogP | 5.3063 |
| CLogS | -6.046 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 354.29 |
| Relative PSA | 0.2693 |
| PolarSurfaceArea | 117.7 |
| Druglikeness | 0.36413 |
| 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 | 9 |
| 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-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off