[6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C33H37N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | [6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C33H37N5O2 |
| Smiles | O=C(c1cccc(C(N2CCN(C/C=C/c3ccccc3)CC2)=O)n1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C33H37N5O2/c39-32(37-24-20-35(21-25-37)18-8-14-28-10-3-1-4-11-28)30-16-7-17-31(34-30)33(40)38-26-22-36(23-27-38)19-9-15-29-12-5-2-6-13-29/h1-17H,18-27H2 |
| InChIK | RJFBOJQQHVUCSG-UHFFFAOYSA-N |
| TotalMolweight | 535.69 |
| Molweight | 535.69 |
| MonoisotopicMass | 535.294725 |
| CLogP | 4.6927 |
| CLogS | -2.973 |
| H Acceptors | 7 |
| TotalSurfaceArea | 431.84 |
| Relative PSA | 0.11868 |
| PolarSurfaceArea | 59.99 |
| Druglikeness | 8.0987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.675 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 23 |
| Amides | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - [6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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