(E)-3-(3-chlorophenyl)-N-[2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
Formula:C24H25N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N-[2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N-[2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide |
| MolecularFormula | C24H25N3O2Cl2 |
| Smiles | O=C(/C=C/c1cc(Cl)ccc1)NCCN(CC1)CCN1C(/C=C/c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C24H25Cl2N3O2/c25-21-5-1-3-19(17-21)7-9-23(30)27-11-12-28-13-15-29(16-14-28)24(31)10-8-20-4-2-6-22(26)18-20/h1-10,17-18H,11-16H2,(H,27,30) |
| InChIK | MIMCXDPRKPGYLX-UHFFFAOYSA-N |
| TotalMolweight | 458.388 |
| Molweight | 458.388 |
| MonoisotopicMass | 457.132381 |
| CLogP | 4.2475 |
| CLogS | -4.277 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 353.48 |
| Relative PSA | 0.12629 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 6.9246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3-chlorophenyl)-N-[2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-[2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
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