| MolName | 2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diphenylthiophene-2,5-dicarboxamide |
| MolecularFormula | C32H24N4O2S |
| Smiles | O=C(c(sc(C(N/N=C\c1ccccc1)=O)c1-c2ccccc2)c1-c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C32H24N4O2S/c37-31(35-33-21-23-13-5-1-6-14-23)29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30(39-29)32(38)36-34-22-24-15-7-2-8-16-24/h1-22H,(H,35,37)(H,36,38) |
| InChIK | GWXGXFRIIIIFOE-UHFFFAOYSA-N |
| TotalMolweight | 528.635 |
| Molweight | 528.635 |
| MonoisotopicMass | 528.161996 |
| CLogP | 8.0108 |
| CLogS | -10.118 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 416.18 |
| Relative PSA | 0.22197 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | 5.9647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 23 |
| StereoCon |
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1 - 2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diphenylthiophene-2,5-dicarboxamide | 2 - 2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diphenylthiophene-2,5-dicarboxamide