(2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Formula:C19H13N4O4FS
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]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]acetamide |
| MolecularFormula | C19H13N4O4FS |
| Smiles | NC(/C(/C#N)=C(/N1c(cc2)ccc2F)\SC(Cc2cc([N+]([O-])=O)ccc2)C1=O)=O |
| InChI | InChI=1S/C19H13FN4O4S/c20-12-4-6-13(7-5-12)23-18(26)16(29-19(23)15(10-21)17(22)25)9-11-2-1-3-14(8-11)24(27)28/h1-8,16H,9H2,(H2,22,25)/t16-/m0/s1 |
| InChIK | SVASKOQYQRRJLT-INIZCTEOSA-N |
| TotalMolweight | 412.4 |
| Molweight | 412.4 |
| MonoisotopicMass | 412.064154 |
| CLogP | 1.8341 |
| CLogS | -5.165 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.24 |
| Relative PSA | 0.36398 |
| PolarSurfaceArea | 158.31 |
| Druglikeness | -5.1752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| 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]acetamide | 2 - (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
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