(5E)-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one
Formula:C29H26N2O4F2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one is not a drug-like molecule.
| MolName | (5E)-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one |
| MolecularFormula | C29H26N2O4F2S |
| Smiles | O=C(CSC(N(C1=O)c(cc2)ccc2OC(F)F)=N/C1=C/c1ccco1)c1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C29H26F2N2O4S/c30-28(31)37-23-14-12-22(13-15-23)33-27(35)25(17-24-7-4-16-36-24)32-29(33)38-18-26(34)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h4,7-17,19,28H,1-3,5-6,18H2 |
| InChIK | BULVXZFUJWENPJ-UHFFFAOYSA-N |
| TotalMolweight | 536.597 |
| Molweight | 536.597 |
| MonoisotopicMass | 536.158134 |
| CLogP | 5.7192 |
| CLogS | -8.523 |
| H Acceptors | 6 |
| TotalSurfaceArea | 396.7 |
| Relative PSA | 0.20857 |
| PolarSurfaceArea | 97.41 |
| Druglikeness | -4.0967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one | 2 - (5E)-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one
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