(E)-3-phenylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
Formula:C19H19NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide |
| MolecularFormula | C19H19NOS |
| Smiles | O=C(/C=C/Sc1ccccc1)NC(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C19H19NOS/c21-19(13-14-22-16-9-2-1-3-10-16)20-18-12-6-8-15-7-4-5-11-17(15)18/h1-5,7,9-11,13-14,18H,6,8,12H2,(H,20,21)/t18-/m0/s1 |
| InChIK | QGHCMZDACGURHH-SFHVURJKSA-N |
| TotalMolweight | 309.432 |
| Molweight | 309.432 |
| MonoisotopicMass | 309.118734 |
| CLogP | 3.9203 |
| CLogS | -4.362 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 246.5 |
| Relative PSA | 0.17034 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -1.8673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-phenylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide | 2 - (E)-3-phenylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
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