(5E)-3-(2,4-dichlorobenzoyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
Formula:C15H8N2O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2,4-dichlorobenzoyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(2,4-dichlorobenzoyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one |
| MolecularFormula | C15H8N2O2Cl2S2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N(C(/C(/N1)=C\c2cccs2)=O)C1=S |
| InChI | InChI=1S/C15H8Cl2N2O2S2/c16-8-3-4-10(11(17)6-8)13(20)19-14(21)12(18-15(19)22)7-9-2-1-5-23-9/h1-7H,(H,18,22) |
| InChIK | WUHFXHNNUALMJW-UHFFFAOYSA-N |
| TotalMolweight | 383.279 |
| Molweight | 383.279 |
| MonoisotopicMass | 381.940422 |
| CLogP | 4.0608 |
| CLogS | -5.392 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.98 |
| Relative PSA | 0.34275 |
| PolarSurfaceArea | 109.74 |
| Druglikeness | 4.3267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(2,4-dichlorobenzoyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one | 2 - (5E)-3-(2,4-dichlorobenzoyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
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