(E)-3-phenyl-N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
Formula:C24H27N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide |
| MolecularFormula | C24H27N3O2 |
| Smiles | O=C(/C=C/c1ccccc1)NCCN(CC1)CCN1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H27N3O2/c28-23(13-11-21-7-3-1-4-8-21)25-15-16-26-17-19-27(20-18-26)24(29)14-12-22-9-5-2-6-10-22/h1-14H,15-20H2,(H,25,28) |
| InChIK | LJJAWPKHDAWPKO-UHFFFAOYSA-N |
| TotalMolweight | 389.497 |
| Molweight | 389.497 |
| MonoisotopicMass | 389.210327 |
| CLogP | 3.0355 |
| CLogS | -2.805 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.64 |
| Relative PSA | 0.13836 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 6.9088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-phenyl-N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
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