N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:C20H14N6OBrClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| MolecularFormula | C20H14N6OBrClS2 |
| Smiles | O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C20H14BrClN6OS2/c21-17-6-5-16(31-17)11-24-25-18(29)12-30-20-27-26-19(13-7-9-23-10-8-13)28(20)15-3-1-14(22)2-4-15/h1-11H,12H2,(H,25,29) |
| InChIK | WTHYFZQGQXCAJO-UHFFFAOYSA-N |
| TotalMolweight | 533.861 |
| Molweight | 533.861 |
| MonoisotopicMass | 531.954237 |
| CLogP | 4.9334 |
| CLogS | -9.218 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 353.23 |
| Relative PSA | 0.32172 |
| PolarSurfaceArea | 138.6 |
| Druglikeness | 3.0395 |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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