(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
Formula:C24H23N4OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C24H23N4OFS |
| Smiles | N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc1)cc(F)c1N1CCCCC1 |
| InChI | InChI=1S/C24H23FN4OS/c25-20-13-16(8-9-21(20)29-10-4-1-5-11-29)12-17(14-26)23(30)28-24-19(15-27)18-6-2-3-7-22(18)31-24/h8-9,12-13H,1-7,10-11H2,(H,28,30) |
| InChIK | VCQNXPXNNOLARS-UHFFFAOYSA-N |
| TotalMolweight | 434.538 |
| Molweight | 434.538 |
| MonoisotopicMass | 434.157659 |
| CLogP | 4.9707 |
| CLogS | -7.101 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.79 |
| Relative PSA | 0.22228 |
| PolarSurfaceArea | 108.16 |
| Druglikeness | -3.6334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide | 2 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
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