(5Z)-5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Formula:C16H12N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H12N3OClS |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2Cl)N(Cc2cnccc2)C1=S |
| InChI | InChI=1S/C16H12ClN3OS/c17-13-5-3-11(4-6-13)8-14-15(21)20(16(22)19-14)10-12-2-1-7-18-9-12/h1-9H,10H2,(H,19,22) |
| InChIK | DMHLEOBWPLVOOY-UHFFFAOYSA-N |
| TotalMolweight | 329.81 |
| Molweight | 329.81 |
| MonoisotopicMass | 329.038959 |
| CLogP | 2.5049 |
| CLogS | -3.722 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.39 |
| Relative PSA | 0.27423 |
| PolarSurfaceArea | 77.32 |
| Druglikeness | 3.9614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
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