N-(2,6-dichlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
Formula:C20H21N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,6-dichlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is a drug-like molecule.
| MolName | N-(2,6-dichlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide |
| MolecularFormula | C20H21N3OCl2 |
| Smiles | O=C(Nc(c(Cl)ccc1)c1Cl)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H21Cl2N3O/c21-17-9-4-10-18(22)19(17)23-20(26)25-14-12-24(13-15-25)11-5-8-16-6-2-1-3-7-16/h1-10H,11-15H2,(H,23,26) |
| InChIK | ZUQBXOGGXCJQNB-UHFFFAOYSA-N |
| TotalMolweight | 390.313 |
| Molweight | 390.313 |
| MonoisotopicMass | 389.106166 |
| CLogP | 4.8285 |
| CLogS | -4.656 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.47 |
| Relative PSA | 0.10695 |
| PolarSurfaceArea | 35.58 |
| Druglikeness | 7.4307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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