N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C23H18N5OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C23H18N5OBrS |
| Smiles | O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C23H18BrN5OS/c24-19-11-7-8-17(14-19)15-25-26-21(30)16-31-23-28-27-22(18-9-3-1-4-10-18)29(23)20-12-5-2-6-13-20/h1-15H,16H2,(H,26,30) |
| InChIK | XRAWNSHKNNEINI-UHFFFAOYSA-N |
| TotalMolweight | 492.4 |
| Molweight | 492.4 |
| MonoisotopicMass | 491.041541 |
| CLogP | 5.257 |
| CLogS | -9.25 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.11 |
| Relative PSA | 0.23989 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 3.6355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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