N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide
Formula:C22H25N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide |
| MolecularFormula | C22H25N4OF3 |
| Smiles | O=C(CN(CC1)CCN1c1ncc(C(F)(F)F)cc1)N[C@H](CCC1)c2c1cccc2 |
| InChI | InChI=1S/C22H25F3N4O/c23-22(24,25)17-8-9-20(26-14-17)29-12-10-28(11-13-29)15-21(30)27-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,8-9,14,19H,3,5,7,10-13,15H2,(H,27,30)/t19-/m1/s1 |
| InChIK | BHYVLIDVQPTIOJ-LJQANCHMSA-N |
| TotalMolweight | 418.461 |
| Molweight | 418.461 |
| MonoisotopicMass | 418.198045 |
| CLogP | 3.1667 |
| CLogS | -3.479 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.63 |
| Relative PSA | 0.13883 |
| PolarSurfaceArea | 48.47 |
| Druglikeness | -2.7534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide | 2 - N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide
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