(E)-3-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Formula:C20H19NO3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide |
| MolecularFormula | C20H19NO3Cl2S |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(Cc(cccc1)c1Cl)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C20H19Cl2NO3S/c21-18-7-3-1-5-15(18)9-10-20(24)23(17-11-12-27(25,26)14-17)13-16-6-2-4-8-19(16)22/h1-10,17H,11-14H2/t17-/m0/s1 |
| InChIK | IDGBCBPIHPKKCG-KRWDZBQOSA-N |
| TotalMolweight | 424.347 |
| Molweight | 424.347 |
| MonoisotopicMass | 423.046268 |
| CLogP | 3.6879 |
| CLogS | -4.968 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.03 |
| Relative PSA | 0.15005 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | -0.24842 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
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