(E)-N-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide
Formula:C18H19NO4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C18H19NO4S |
| Smiles | O=C(/C=C/c1ccco1)N(Cc1ccccc1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C18H19NO4S/c20-18(9-8-17-7-4-11-23-17)19(13-15-5-2-1-3-6-15)16-10-12-24(21,22)14-16/h1-9,11,16H,10,12-14H2/t16-/m1/s1 |
| InChIK | MGVOOLGFLJFWIY-MRXNPFEDSA-N |
| TotalMolweight | 345.418 |
| Molweight | 345.418 |
| MonoisotopicMass | 345.103479 |
| CLogP | 1.6646 |
| CLogS | -3.178 |
| H Acceptors | 5 |
| TotalSurfaceArea | 259.88 |
| Relative PSA | 0.22811 |
| PolarSurfaceArea | 75.97 |
| Druglikeness | -0.23566 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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