(E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide
Formula:C23H15N3O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide |
| MolecularFormula | C23H15N3O2Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1cccc(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)n1 |
| InChI | InChI=1S/C23H15Cl4N3O2/c24-16-8-4-14(18(26)12-16)6-10-22(31)29-20-2-1-3-21(28-20)30-23(32)11-7-15-5-9-17(25)13-19(15)27/h1-13H,(H2,28,29,30,31,32) |
| InChIK | VINKIAFJGDHTTR-UHFFFAOYSA-N |
| TotalMolweight | 507.203 |
| Molweight | 507.203 |
| MonoisotopicMass | 504.991835 |
| CLogP | 6.7389 |
| CLogS | -8.579 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 364.64 |
| Relative PSA | 0.16446 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide
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