(2Z)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C24H15N3O3F2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C24H15N3O3F2S2 |
| Smiles | N#C/C(/C(Nc(cc1)ccc1SC(F)F)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C\c1ccco1 |
| InChI | InChI=1S/C24H15F2N3O3S2/c25-24(26)33-18-10-8-15(9-11-18)28-21(30)19(14-27)23-29(16-5-2-1-3-6-16)22(31)20(34-23)13-17-7-4-12-32-17/h1-13,24H,(H,28,30) |
| InChIK | QDHGXYGWTVLRSI-UHFFFAOYSA-N |
| TotalMolweight | 495.529 |
| Molweight | 495.529 |
| MonoisotopicMass | 495.052288 |
| CLogP | 5.7981 |
| CLogS | -7.464 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 355.75 |
| Relative PSA | 0.29161 |
| PolarSurfaceArea | 136.94 |
| Druglikeness | -2.7026 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
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