(E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C18H17NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C18H17NO3Cl2S2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)N(Cc1cccs1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C18H17Cl2NO3S2/c19-14-5-3-13(17(20)10-14)4-6-18(22)21(11-16-2-1-8-25-16)15-7-9-26(23,24)12-15/h1-6,8,10,15H,7,9,11-12H2/t15-/m0/s1 |
| InChIK | DZCUDWNYZAINPA-HNNXBMFYSA-N |
| TotalMolweight | 430.375 |
| Molweight | 430.375 |
| MonoisotopicMass | 429.002688 |
| CLogP | 3.5545 |
| CLogS | -4.978 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.97 |
| Relative PSA | 0.22066 |
| PolarSurfaceArea | 91.07 |
| Druglikeness | 1.9398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
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