(E)-3-phenyl-N-(2-pyridin-2-ylethylcarbamothioyl)prop-2-enamide
Formula:C17H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-phenyl-N-(2-pyridin-2-ylethylcarbamothioyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(2-pyridin-2-ylethylcarbamothioyl)prop-2-enamide |
| MolecularFormula | C17H17N3OS |
| Smiles | O=C(/C=C/c1ccccc1)NC(NCCc1ncccc1)=S |
| InChI | InChI=1S/C17H17N3OS/c21-16(10-9-14-6-2-1-3-7-14)20-17(22)19-13-11-15-8-4-5-12-18-15/h1-10,12H,11,13H2,(H2,19,20,21,22) |
| InChIK | TYFZULOYLWIYSI-UHFFFAOYSA-N |
| TotalMolweight | 311.408 |
| Molweight | 311.408 |
| MonoisotopicMass | 311.109232 |
| CLogP | 2.5113 |
| CLogS | -3.2 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 259.18 |
| Relative PSA | 0.2891 |
| PolarSurfaceArea | 86.11 |
| Druglikeness | 0.18512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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