(2Z)-2-cyano-2-[5-[(3-nitrophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C19H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-2-[5-[(3-nitrophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(3-nitrophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C19H14N4O4S |
| Smiles | NC(/C(/C#N)=C(/N1c2ccccc2)\SC(Cc2cc([N+]([O-])=O)ccc2)C1=O)=O |
| InChI | InChI=1S/C19H14N4O4S/c20-11-15(17(21)24)19-22(13-6-2-1-3-7-13)18(25)16(28-19)10-12-5-4-8-14(9-12)23(26)27/h1-9,16H,10H2,(H2,21,24)/t16-/m0/s1 |
| InChIK | NHXJZDNNJZFJMI-INIZCTEOSA-N |
| TotalMolweight | 394.41 |
| Molweight | 394.41 |
| MonoisotopicMass | 394.073576 |
| CLogP | 1.7333 |
| CLogS | -4.851 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 285.89 |
| Relative PSA | 0.37207 |
| PolarSurfaceArea | 158.31 |
| Druglikeness | -3.8352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 |
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1 - (2Z)-2-cyano-2-[5-[(3-nitrophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-2-cyano-2-[5-[(3-nitrophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
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