[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C34H38N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | [2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C34H38N4O2 |
| Smiles | O=C(c(cccc1)c1C(N1CCN(C/C=C/c2ccccc2)CC1)=O)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C34H38N4O2/c39-33(37-25-21-35(22-26-37)19-9-15-29-11-3-1-4-12-29)31-17-7-8-18-32(31)34(40)38-27-23-36(24-28-38)20-10-16-30-13-5-2-6-14-30/h1-18H,19-28H2 |
| InChIK | TYLBYYRHDHJZOC-UHFFFAOYSA-N |
| TotalMolweight | 534.702 |
| Molweight | 534.702 |
| MonoisotopicMass | 534.299476 |
| CLogP | 5.5856 |
| CLogS | -3.72 |
| H Acceptors | 6 |
| TotalSurfaceArea | 433.08 |
| Relative PSA | 0.093008 |
| PolarSurfaceArea | 47.1 |
| Druglikeness | 8.0987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 24 |
| Amides | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - [2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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