(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-naphthalen-1-ylacetamide
Formula:C29H21N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-naphthalen-1-ylacetamide |
| MolecularFormula | C29H21N3O2S |
| Smiles | N#C/C(/C(Nc1cccc2ccccc12)=O)=C(\N1c2ccccc2)/SC(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C29H21N3O2S/c30-19-24(27(33)31-25-17-9-13-21-12-7-8-16-23(21)25)29-32(22-14-5-2-6-15-22)28(34)26(35-29)18-20-10-3-1-4-11-20/h1-17,26H,18H2,(H,31,33)/t26-/m0/s1 |
| InChIK | ANACNVMZHFQITH-SANMLTNESA-N |
| TotalMolweight | 475.571 |
| Molweight | 475.571 |
| MonoisotopicMass | 475.135447 |
| CLogP | 5.9095 |
| CLogS | -7.42 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 359.52 |
| Relative PSA | 0.20066 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2123 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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