2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C24H20N4O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C24H20N4O2S3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C24H20N4O2S3/c29-22(17-32-24-28-27-23(33-24)31-16-18-8-3-1-4-9-18)26-25-15-19-10-7-13-21(14-19)30-20-11-5-2-6-12-20/h1-15H,16-17H2,(H,26,29) |
| InChIK | JHEVGSKVZRXDPR-UHFFFAOYSA-N |
| TotalMolweight | 492.647 |
| Molweight | 492.647 |
| MonoisotopicMass | 492.074836 |
| CLogP | 5.8086 |
| CLogS | -8.637 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 372.47 |
| Relative PSA | 0.33101 |
| PolarSurfaceArea | 155.31 |
| Druglikeness | 5.0282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off