N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C23H17N5OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C23H17N5OF2S |
| Smiles | O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C23H17F2N5OS/c24-18-12-11-17(20(25)13-18)14-26-27-21(31)15-32-23-29-28-22(16-7-3-1-4-8-16)30(23)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,31) |
| InChIK | VHWQSDHJHZCHKT-UHFFFAOYSA-N |
| TotalMolweight | 449.484 |
| Molweight | 449.484 |
| MonoisotopicMass | 449.112186 |
| CLogP | 4.7334 |
| CLogS | -9.044 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 337.18 |
| Relative PSA | 0.24411 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 4.0855 |
| 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 | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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