(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H15N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H15N2O4ClS2 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c(cccc2)c2OCc(cccc2)c2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C23H15ClN2O4S2/c24-19-7-3-1-6-16(19)14-30-20-8-4-2-5-15(20)13-21-22(27)25(23(31)32-21)17-9-11-18(12-10-17)26(28)29/h1-13H,14H2 |
| InChIK | AURAUIYAHKBZEQ-UHFFFAOYSA-N |
| TotalMolweight | 482.967 |
| Molweight | 482.967 |
| MonoisotopicMass | 482.016175 |
| CLogP | 3.9248 |
| CLogS | -7.52 |
| H Acceptors | 6 |
| TotalSurfaceArea | 345.09 |
| Relative PSA | 0.29702 |
| PolarSurfaceArea | 132.75 |
| Druglikeness | -2.3452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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