| MolName | N-(2-cyanophenyl)-2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C23H16N4O3S |
| Smiles | N#Cc(cccc1)c1NC(CSC(N(C1=O)c2ccccc2)=N/C1=C\c1ccco1)=O |
| InChI | InChI=1S/C23H16N4O3S/c24-14-16-7-4-5-11-19(16)25-21(28)15-31-23-26-20(13-18-10-6-12-30-18)22(29)27(23)17-8-2-1-3-9-17/h1-13H,15H2,(H,25,28) |
| InChIK | DTVNEIQETQMERL-UHFFFAOYSA-N |
| TotalMolweight | 428.471 |
| Molweight | 428.471 |
| MonoisotopicMass | 428.094311 |
| CLogP | 3.0811 |
| CLogS | -6.565 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 326.87 |
| Relative PSA | 0.29908 |
| PolarSurfaceArea | 124 |
| Druglikeness | -0.50056 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-(2-cyanophenyl)-2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide | 2 - N-(2-cyanophenyl)-2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide