N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Formula:C20H17N7OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide |
| MolecularFormula | C20H17N7OS |
| Smiles | O=C(CSc1ncn[nH]1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C20H17N7OS/c28-18(13-29-20-21-14-23-25-20)24-22-11-16-12-27(17-9-5-2-6-10-17)26-19(16)15-7-3-1-4-8-15/h1-12,14H,13H2,(H,24,28)(H,21,23,25) |
| InChIK | GUOGWJGQEITLGF-UHFFFAOYSA-N |
| TotalMolweight | 403.469 |
| Molweight | 403.469 |
| MonoisotopicMass | 403.121528 |
| CLogP | 2.3454 |
| CLogS | -4.495 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 312.81 |
| Relative PSA | 0.34292 |
| PolarSurfaceArea | 126.15 |
| Druglikeness | 6.6067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide | 2 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
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