(2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Formula:C26H19N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is not a drug-like molecule.
| MolName | (2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C26H19N4O4FS |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc2cc([N+]([O-])=O)ccc2)C1=O |
| InChI | InChI=1S/C26H19FN4O4S/c27-19-9-11-20(12-10-19)30-25(33)23(14-18-7-4-8-21(13-18)31(34)35)36-26(30)22(15-28)24(32)29-16-17-5-2-1-3-6-17/h1-13,23H,14,16H2,(H,29,32)/t23-/m0/s1 |
| InChIK | AHRFFCXFZYLDQK-QHCPKHFHSA-N |
| TotalMolweight | 502.525 |
| Molweight | 502.525 |
| MonoisotopicMass | 502.111104 |
| CLogP | 3.6037 |
| CLogS | -6.404 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 368.7 |
| Relative PSA | 0.27817 |
| PolarSurfaceArea | 144.32 |
| Druglikeness | -4.7975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
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