(E)-N-[(2-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Formula:C20H18NO3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(2-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide |
| MolecularFormula | C20H18NO3Cl3S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)N(Cc(cccc1)c1Cl)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C20H18Cl3NO3S/c21-16-7-5-14(19(23)11-16)6-8-20(25)24(17-9-10-28(26,27)13-17)12-15-3-1-2-4-18(15)22/h1-8,11,17H,9-10,12-13H2/t17-/m0/s1 |
| InChIK | FSWDCIMIOSGGQS-KRWDZBQOSA-N |
| TotalMolweight | 458.792 |
| Molweight | 458.792 |
| MonoisotopicMass | 457.007295 |
| CLogP | 4.2939 |
| CLogS | -5.704 |
| H Acceptors | 4 |
| TotalSurfaceArea | 316.45 |
| Relative PSA | 0.14274 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | 0.63929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 |
Click to Load Molecule:
1 - (E)-N-[(2-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide | 2 - (E)-N-[(2-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off