(2E,5Z)-2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
Formula:C26H17N4O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5Z)-2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5Z)-2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C26H17N4O3ClS2 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N2c3ccccc3)=O)\S/C2=N/c2ncc(Cc(cccc3)c3Cl)s2)cc1)=O |
| InChI | InChI=1S/C26H17ClN4O3S2/c27-22-9-5-4-6-18(22)15-21-16-28-25(35-21)29-26-30(19-7-2-1-3-8-19)24(32)23(36-26)14-17-10-12-20(13-11-17)31(33)34/h1-14,16H,15H2 |
| InChIK | NLCMOBRXIIHVQN-UHFFFAOYSA-N |
| TotalMolweight | 533.031 |
| Molweight | 533.031 |
| MonoisotopicMass | 532.043058 |
| CLogP | 5.8858 |
| CLogS | -8.6 |
| H Acceptors | 7 |
| TotalSurfaceArea | 379.81 |
| Relative PSA | 0.28262 |
| PolarSurfaceArea | 144.92 |
| Druglikeness | -1.4946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E,5Z)-2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one | 2 - (2E,5Z)-2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
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