2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C22H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C22H24N2O3 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C22H24N2O3/c25-22(19-8-9-20-21(17-19)27-16-15-26-20)24-13-11-23(12-14-24)10-4-7-18-5-2-1-3-6-18/h1-9,17H,10-16H2 |
| InChIK | AVYMLAKHURBTTQ-UHFFFAOYSA-N |
| TotalMolweight | 364.444 |
| Molweight | 364.444 |
| MonoisotopicMass | 364.178693 |
| CLogP | 3.6014 |
| CLogS | -2.85 |
| H Acceptors | 5 |
| TotalSurfaceArea | 287.19 |
| Relative PSA | 0.13977 |
| PolarSurfaceArea | 42.01 |
| Druglikeness | 0.82705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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