N-[(Z)-benzylideneamino]-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C24H21N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C24H21N5OS |
| Smiles | O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H21N5OS/c30-23(27-25-17-20-12-6-2-7-13-20)18-31-24-28-26-22(16-19-10-4-1-5-11-19)29(24)21-14-8-3-9-15-21/h1-15,17H,16,18H2,(H,27,30) |
| InChIK | UUMBZDXOCOGOKZ-UHFFFAOYSA-N |
| TotalMolweight | 427.531 |
| Molweight | 427.531 |
| MonoisotopicMass | 427.14668 |
| CLogP | 4.5942 |
| CLogS | -7.266 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.24 |
| Relative PSA | 0.24335 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 5.4768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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