(E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide
Formula:C27H25N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C27H25N2O2FS |
| Smiles | O=C(CN(C1CC1)C(/C=C/c1ccccc1)=O)N(CCc1c2ccs1)C2c(cc1)ccc1F |
| InChI | InChI=1S/C27H25FN2O2S/c28-21-9-7-20(8-10-21)27-23-15-17-33-24(23)14-16-29(27)26(32)18-30(22-11-12-22)25(31)13-6-19-4-2-1-3-5-19/h1-10,13,15,17,22,27H,11-12,14,16,18H2/t27-/m1/s1 |
| InChIK | VVBZTQLGXROXBN-HHHXNRCGSA-N |
| TotalMolweight | 460.572 |
| Molweight | 460.572 |
| MonoisotopicMass | 460.162076 |
| CLogP | 5.1835 |
| CLogS | -5.054 |
| H Acceptors | 4 |
| TotalSurfaceArea | 344.47 |
| Relative PSA | 0.15543 |
| PolarSurfaceArea | 68.86 |
| Druglikeness | 2.6946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide | 2 - (E)-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off