3-[(E)-2-phenylethenyl]sulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
Formula:C19H18NO2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]sulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]sulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide |
| MolecularFormula | C19H18NO2F3S |
| Smiles | O=C(CCS/C=C/c1ccccc1)NCc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C19H18F3NO2S/c20-19(21,22)25-17-8-6-16(7-9-17)14-23-18(24)11-13-26-12-10-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,23,24) |
| InChIK | KXOBSZVVXVIPFA-UHFFFAOYSA-N |
| TotalMolweight | 381.417 |
| Molweight | 381.417 |
| MonoisotopicMass | 381.101033 |
| CLogP | 4.5516 |
| CLogS | -5.118 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.96 |
| Relative PSA | 0.18118 |
| PolarSurfaceArea | 63.63 |
| Druglikeness | -6.0692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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