(E)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide
Formula:C18H18NO4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C18H18NO4ClS |
| Smiles | O=C(/C=C/c1ccco1)N(Cc(cccc1)c1Cl)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C18H18ClNO4S/c19-17-6-2-1-4-14(17)12-20(15-9-11-25(22,23)13-15)18(21)8-7-16-5-3-10-24-16/h1-8,10,15H,9,11-13H2/t15-/m0/s1 |
| InChIK | VAOKPZIPSJTFAY-HNNXBMFYSA-N |
| TotalMolweight | 379.863 |
| Molweight | 379.863 |
| MonoisotopicMass | 379.064506 |
| CLogP | 2.2706 |
| CLogS | -3.914 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.3 |
| Relative PSA | 0.21533 |
| PolarSurfaceArea | 75.97 |
| Druglikeness | -0.18245 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off