(E)-3-(2,4-dichlorophenyl)-N-[3-[4-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
Formula:C28H32N4O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[3-[4-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[3-[4-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide |
| MolecularFormula | C28H32N4O2Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NCCCN1CCN(CCCNC(/C=C/c(ccc(Cl)c2)c2Cl)=O)CC1 |
| InChI | InChI=1S/C28H32Cl4N4O2/c29-23-7-3-21(25(31)19-23)5-9-27(37)33-11-1-13-35-15-17-36(18-16-35)14-2-12-34-28(38)10-6-22-4-8-24(30)20-26(22)32/h3-10,19-20H,1-2,11-18H2,(H,33,37)(H,34,38) |
| InChIK | UHVHFTQHOXIBKB-UHFFFAOYSA-N |
| TotalMolweight | 598.4 |
| Molweight | 598.4 |
| MonoisotopicMass | 596.127934 |
| CLogP | 5.8016 |
| CLogS | -6.074 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 450.82 |
| Relative PSA | 0.12444 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | 7.3393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 20 |
| Amides | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2,4-dichlorophenyl)-N-[3-[4-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[3-[4-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
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