2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Formula:C26H19N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| MolecularFormula | C26H19N2OF3S |
| Smiles | N#Cc1c(/C=C\c2ccccc2)c(CCC2)c2nc1SCC(c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C26H19F3N2OS/c27-26(28,29)19-12-10-18(11-13-19)24(32)16-33-25-22(15-30)20(21-7-4-8-23(21)31-25)14-9-17-5-2-1-3-6-17/h1-3,5-6,9-14H,4,7-8,16H2 |
| InChIK | RBZKXKKCFGMFID-UHFFFAOYSA-N |
| TotalMolweight | 464.51 |
| Molweight | 464.51 |
| MonoisotopicMass | 464.117017 |
| CLogP | 6.0436 |
| CLogS | -7.513 |
| H Acceptors | 3 |
| TotalSurfaceArea | 345.99 |
| Relative PSA | 0.15914 |
| PolarSurfaceArea | 79.05 |
| Druglikeness | -14.239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | 2 - 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
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