(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C16H17NO5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C16H17NO5S |
| Smiles | O=C(/C=C/c1ccco1)N(Cc1ccco1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C16H17NO5S/c18-16(6-5-14-3-1-8-21-14)17(11-15-4-2-9-22-15)13-7-10-23(19,20)12-13/h1-6,8-9,13H,7,10-12H2/t13-/m1/s1 |
| InChIK | ODKOZSTVZZBQEE-CYBMUJFWSA-N |
| TotalMolweight | 335.379 |
| Molweight | 335.379 |
| MonoisotopicMass | 335.082744 |
| CLogP | 0.8533 |
| CLogS | -2.86 |
| H Acceptors | 6 |
| TotalSurfaceArea | 249.57 |
| Relative PSA | 0.29407 |
| PolarSurfaceArea | 89.11 |
| Druglikeness | -0.77552 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
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