N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C18H13N4OCl2FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C18H13N4OCl2FS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C18H13Cl2FN4OS3/c19-12-6-4-11(5-7-12)9-27-17-24-25-18(29-17)28-10-16(26)23-22-8-13-14(20)2-1-3-15(13)21/h1-8H,9-10H2,(H,23,26) |
| InChIK | CFARLTYZSHQFJF-UHFFFAOYSA-N |
| TotalMolweight | 487.43 |
| Molweight | 487.43 |
| MonoisotopicMass | 485.961253 |
| CLogP | 5.7258 |
| CLogS | -8.126 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.9 |
| Relative PSA | 0.3333 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 3.81 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off