(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C25H18N4OS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C25H18N4OS |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)NC1=S |
| InChI | InChI=1S/C25H18N4OS/c30-24-22(26-25(31)27-24)15-17-11-13-20(14-12-17)29-23(19-9-5-2-6-10-19)16-21(28-29)18-7-3-1-4-8-18/h1-16H,(H2,26,27,30,31) |
| InChIK | LABFSRPFQYXEJD-UHFFFAOYSA-N |
| TotalMolweight | 422.511 |
| Molweight | 422.511 |
| MonoisotopicMass | 422.120131 |
| CLogP | 3.898 |
| CLogS | -6.111 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 325.09 |
| Relative PSA | 0.25162 |
| PolarSurfaceArea | 91.04 |
| Druglikeness | 4.3322 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
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