(E)-3-naphthalen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one
Formula:C23H20N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-naphthalen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-naphthalen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C23H20N3OF3 |
| Smiles | O=C(/C=C/c1cc2ccccc2cc1)N(CC1)CCN1c1ncc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C23H20F3N3O/c24-23(25,26)20-8-9-21(27-16-20)28-11-13-29(14-12-28)22(30)10-6-17-5-7-18-3-1-2-4-19(18)15-17/h1-10,15-16H,11-14H2 |
| InChIK | FTVXKKXQVMYXDO-UHFFFAOYSA-N |
| TotalMolweight | 411.426 |
| Molweight | 411.426 |
| MonoisotopicMass | 411.155846 |
| CLogP | 4.6609 |
| CLogS | -5.157 |
| H Acceptors | 4 |
| TotalSurfaceArea | 302.23 |
| Relative PSA | 0.10293 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | -1.6852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-naphthalen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-naphthalen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one
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