1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Formula:C18H25N6F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is a drug-like molecule.
| MolName | 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine |
| MolecularFormula | C18H25N6F3 |
| Smiles | C[C@@H](c1nnnn1C(C)(C)C)N(CC1)CCN1c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C18H25F3N6/c1-13(16-22-23-24-27(16)17(2,3)4)25-8-10-26(11-9-25)15-7-5-6-14(12-15)18(19,20)21/h5-7,12-13H,8-11H2,1-4H3/t13-/m0/s1 |
| InChIK | VWDWBRHDBSZNLW-ZDUSSCGKSA-N |
| TotalMolweight | 382.433 |
| Molweight | 382.433 |
| MonoisotopicMass | 382.209278 |
| CLogP | 2.5395 |
| CLogS | -2.909 |
| H Acceptors | 6 |
| TotalSurfaceArea | 282.05 |
| Relative PSA | 0.16621 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | -3.5653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine | 2 - 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
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