(2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
Formula:C24H17N4O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H17N4O5FS |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc2cc([N+]([O-])=O)ccc2)C1=O |
| InChI | InChI=1S/C24H17FN4O5S/c25-16-6-8-17(9-7-16)28-23(31)21(12-15-3-1-4-18(11-15)29(32)33)35-24(28)20(13-26)22(30)27-14-19-5-2-10-34-19/h1-11,21H,12,14H2,(H,27,30)/t21-/m0/s1 |
| InChIK | SZFVYPQLKRNLGL-NRFANRHFSA-N |
| TotalMolweight | 492.486 |
| Molweight | 492.486 |
| MonoisotopicMass | 492.090369 |
| CLogP | 2.7924 |
| CLogS | -6.086 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 358.39 |
| Relative PSA | 0.32554 |
| PolarSurfaceArea | 157.46 |
| Druglikeness | -4.7602 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
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