N-[(Z)-benzylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Formula:C18H16N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide |
| MolecularFormula | C18H16N4OS3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H16N4OS3/c23-16(20-19-11-14-7-3-1-4-8-14)13-25-18-22-21-17(26-18)24-12-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,20,23) |
| InChIK | XXIRTVWENYHGBO-UHFFFAOYSA-N |
| TotalMolweight | 400.55 |
| Molweight | 400.55 |
| MonoisotopicMass | 400.048621 |
| CLogP | 4.413 |
| CLogS | -6.34 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.71 |
| Relative PSA | 0.37425 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.1323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
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