(5Z)-3-benzyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C26H19N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C26H19N3OCl2S |
| Smiles | O=C(/C(/N1)=C/c2cn(Cc(ccc(Cl)c3)c3Cl)c3c2cccc3)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C26H19Cl2N3OS/c27-20-11-10-18(22(28)13-20)15-30-16-19(21-8-4-5-9-24(21)30)12-23-25(32)31(26(33)29-23)14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,29,33) |
| InChIK | LEAQHZKLXOSIEX-UHFFFAOYSA-N |
| TotalMolweight | 492.429 |
| Molweight | 492.429 |
| MonoisotopicMass | 491.062586 |
| CLogP | 5.6415 |
| CLogS | -6.231 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 358.37 |
| Relative PSA | 0.17557 |
| PolarSurfaceArea | 69.36 |
| Druglikeness | 4.1371 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-3-benzyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
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