(E)-N-benzyl-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Formula:C20H20NO3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide |
| MolecularFormula | C20H20NO3ClS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(Cc1ccccc1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C20H20ClNO3S/c21-19-9-5-4-8-17(19)10-11-20(23)22(14-16-6-2-1-3-7-16)18-12-13-26(24,25)15-18/h1-11,18H,12-15H2/t18-/m0/s1 |
| InChIK | GYCFLJZMFDJMGS-SFHVURJKSA-N |
| TotalMolweight | 389.902 |
| Molweight | 389.902 |
| MonoisotopicMass | 389.085241 |
| CLogP | 3.0819 |
| CLogS | -4.232 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.61 |
| Relative PSA | 0.15815 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | 0.24773 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-benzyl-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide | 2 - (E)-N-benzyl-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
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