(5Z)-5-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
Formula:C29H20N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C29H20N4OS2 |
| Smiles | O=C(/C(/N(C1=S)c2ccccc2)=C2/SC(c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C29H20N4OS2/c34-27-25(31(22-15-7-2-8-16-22)29(35)32(27)23-17-9-3-10-18-23)28-33(24-19-11-4-12-20-24)30-26(36-28)21-13-5-1-6-14-21/h1-20H |
| InChIK | JEGIYFOYLQRYPL-UHFFFAOYSA-N |
| TotalMolweight | 504.637 |
| Molweight | 504.637 |
| MonoisotopicMass | 504.107851 |
| CLogP | 7.5691 |
| CLogS | -8.165 |
| H Acceptors | 5 |
| TotalSurfaceArea | 370.28 |
| Relative PSA | 0.21792 |
| PolarSurfaceArea | 96.54 |
| Druglikeness | 4.9765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; thio-amide/urea |
| Shape Index | 0.38889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
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