2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
Formula:C16H12N6OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N6OClFS |
| Smiles | O=C(CSc1nnnn1-c(cc1)ccc1Cl)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C16H12ClFN6OS/c17-12-4-6-14(7-5-12)24-16(21-22-23-24)26-10-15(25)20-19-9-11-2-1-3-13(18)8-11/h1-9H,10H2,(H,20,25) |
| InChIK | WTIMDLGIPSCMDS-UHFFFAOYSA-N |
| TotalMolweight | 390.829 |
| Molweight | 390.829 |
| MonoisotopicMass | 390.046584 |
| CLogP | 3.2619 |
| CLogS | -5.381 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.25 |
| Relative PSA | 0.32701 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 2.4184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
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