(E)-N-(2-morpholin-4-ylethylcarbamothioyl)-3-phenylprop-2-enamide
Formula:C16H21N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-(2-morpholin-4-ylethylcarbamothioyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ylethylcarbamothioyl)-3-phenylprop-2-enamide |
| MolecularFormula | C16H21N3O2S |
| Smiles | O=C(/C=C/c1ccccc1)NC(NCCN1CCOCC1)=S |
| InChI | InChI=1S/C16H21N3O2S/c20-15(7-6-14-4-2-1-3-5-14)18-16(22)17-8-9-19-10-12-21-13-11-19/h1-7H,8-13H2,(H2,17,18,20,22) |
| InChIK | HDYMMVQZUZPFBL-UHFFFAOYSA-N |
| TotalMolweight | 319.428 |
| Molweight | 319.428 |
| MonoisotopicMass | 319.135447 |
| CLogP | 1.2788 |
| CLogS | -2.026 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 262.5 |
| Relative PSA | 0.29528 |
| PolarSurfaceArea | 85.69 |
| Druglikeness | 1.9844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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