1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
Formula:C20H22N6F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine is a drug-like molecule.
| MolName | 1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine |
| MolecularFormula | C20H22N6F2 |
| Smiles | CN(CC1)CCN1[C@@H](c1nnnn1Cc(cc1)ccc1F)c(cc1)ccc1F |
| InChI | InChI=1S/C20H22F2N6/c1-26-10-12-27(13-11-26)19(16-4-8-18(22)9-5-16)20-23-24-25-28(20)14-15-2-6-17(21)7-3-15/h2-9,19H,10-14H2,1H3/t19-/m1/s1 |
| InChIK | SDPKVOIPEIIMSN-LJQANCHMSA-N |
| TotalMolweight | 384.433 |
| Molweight | 384.433 |
| MonoisotopicMass | 384.1874 |
| CLogP | 2.3174 |
| CLogS | -1.992 |
| H Acceptors | 6 |
| TotalSurfaceArea | 291.62 |
| Relative PSA | 0.16076 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | 5.4325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine | 2 - 1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
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