(E)-N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide
Formula:C21H23N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide |
| MolecularFormula | C21H23N2OBr |
| Smiles | O=C(/C=C/c1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C21H23BrN2O/c22-19-8-4-7-17(15-19)9-10-21(25)23-20-11-13-24(14-12-20)16-18-5-2-1-3-6-18/h1-10,15,20H,11-14,16H2,(H,23,25) |
| InChIK | QBXWXWIHOCXUHG-UHFFFAOYSA-N |
| TotalMolweight | 399.331 |
| Molweight | 399.331 |
| MonoisotopicMass | 398.099374 |
| CLogP | 4.072 |
| CLogS | -4.335 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.46 |
| Relative PSA | 0.098262 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 4.7901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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