(E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-phenylethyl)prop-2-enamide
Formula:C21H21NO3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C21H21NO3Cl2S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)N(CCc1ccccc1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C21H21Cl2NO3S/c22-18-8-6-17(20(23)14-18)7-9-21(25)24(19-11-13-28(26,27)15-19)12-10-16-4-2-1-3-5-16/h1-9,14,19H,10-13,15H2/t19-/m0/s1 |
| InChIK | PBUJVPPPJVBYBG-IBGZPJMESA-N |
| TotalMolweight | 438.374 |
| Molweight | 438.374 |
| MonoisotopicMass | 437.061918 |
| CLogP | 4.118 |
| CLogS | -5.08 |
| H Acceptors | 4 |
| TotalSurfaceArea | 314.79 |
| Relative PSA | 0.14349 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | 0.93186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-phenylethyl)prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-phenylethyl)prop-2-enamide
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