(E)-N-(oxolan-2-ylmethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H16N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-(oxolan-2-ylmethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(oxolan-2-ylmethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H16N2O2S2 |
| Smiles | O=C(/C=C/c1cccs1)NC(NCC1OCCC1)=S |
| InChI | InChI=1S/C13H16N2O2S2/c16-12(6-5-11-4-2-8-19-11)15-13(18)14-9-10-3-1-7-17-10/h2,4-6,8,10H,1,3,7,9H2,(H2,14,15,16,18)/t10-/m1/s1 |
| InChIK | UAMYATIYJOLRJO-SNVBAGLBSA-N |
| TotalMolweight | 296.414 |
| Molweight | 296.414 |
| MonoisotopicMass | 296.065318 |
| CLogP | 1.7764 |
| CLogS | -3.231 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 233.12 |
| Relative PSA | 0.4046 |
| PolarSurfaceArea | 110.69 |
| Druglikeness | 0.87803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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