N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C22H18N4O2S3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C22H18N4O2S3 |
| Smiles | Oc1cccc(/C=N\NC(CSc2nnc(SCc3cccc4ccccc34)s2)=O)c1 |
| InChI | InChI=1S/C22H18N4O2S3/c27-18-9-3-5-15(11-18)12-23-24-20(28)14-30-22-26-25-21(31-22)29-13-17-8-4-7-16-6-1-2-10-19(16)17/h1-12,27H,13-14H2,(H,24,28) |
| InChIK | YVYBWNQFKYIQOW-UHFFFAOYSA-N |
| TotalMolweight | 466.609 |
| Molweight | 466.609 |
| MonoisotopicMass | 466.059186 |
| CLogP | 5.2617 |
| CLogS | -7.65 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 343.66 |
| Relative PSA | 0.36778 |
| PolarSurfaceArea | 166.31 |
| Druglikeness | 5.1047 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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