N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C26H20N4OS3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C26H20N4OS3 |
| Smiles | O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C26H20N4OS3/c31-24(28-27-15-20-11-5-9-18-7-1-3-13-22(18)20)17-33-26-30-29-25(34-26)32-16-21-12-6-10-19-8-2-4-14-23(19)21/h1-15H,16-17H2,(H,28,31) |
| InChIK | JIFPAHTZGKXHIY-UHFFFAOYSA-N |
| TotalMolweight | 500.67 |
| Molweight | 500.67 |
| MonoisotopicMass | 500.079921 |
| CLogP | 6.8018 |
| CLogS | -9.552 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 371.91 |
| Relative PSA | 0.30462 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.1323 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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