(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one
Formula:C16H9N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H9N2OCl3S |
| Smiles | O=C(/C(/NC1=S)=C/c(cc2)ccc2Cl)N1c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C16H9Cl3N2OS/c17-10-6-4-9(5-7-10)8-12-15(22)21(16(23)20-12)13-3-1-2-11(18)14(13)19/h1-8H,(H,20,23) |
| InChIK | DVPWXWZTTGQGTF-UHFFFAOYSA-N |
| TotalMolweight | 383.685 |
| Molweight | 383.685 |
| MonoisotopicMass | 381.950114 |
| CLogP | 4.7949 |
| CLogS | -6.511 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.71 |
| Relative PSA | 0.21335 |
| PolarSurfaceArea | 64.43 |
| Druglikeness | 2.7831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one
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