(E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-en-1-one
Formula:C33H31N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C33H31N2O2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(cc1)ccc1Br)N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C33H31BrN2O2/c34-30-16-11-27(12-17-30)25-38-31-18-13-26(14-19-31)15-20-32(37)35-21-23-36(24-22-35)33(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-20,33H,21-25H2 |
| InChIK | BWGFDZIGSKTJGX-UHFFFAOYSA-N |
| TotalMolweight | 567.525 |
| Molweight | 567.525 |
| MonoisotopicMass | 566.156889 |
| CLogP | 6.9797 |
| CLogS | -5.956 |
| H Acceptors | 4 |
| TotalSurfaceArea | 413.82 |
| Relative PSA | 0.072834 |
| PolarSurfaceArea | 32.78 |
| Druglikeness | 3.4863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 14 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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