1-[(S)-(2-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
Formula:C21H24N6ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(S)-(2-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine is a drug-like molecule.
| MolName | 1-[(S)-(2-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine |
| MolecularFormula | C21H24N6ClF |
| Smiles | CCN(CC1)CCN1[C@H](c1nnnn1Cc(cc1)ccc1F)c(cccc1)c1Cl |
| InChI | InChI=1S/C21H24ClFN6/c1-2-27-11-13-28(14-12-27)20(18-5-3-4-6-19(18)22)21-24-25-26-29(21)15-16-7-9-17(23)10-8-16/h3-10,20H,2,11-15H2,1H3/t20-/m0/s1 |
| InChIK | SMERUTNGBARHNP-FQEVSTJZSA-N |
| TotalMolweight | 414.915 |
| Molweight | 414.915 |
| MonoisotopicMass | 414.173499 |
| CLogP | 3.2289 |
| CLogS | -2.714 |
| H Acceptors | 6 |
| TotalSurfaceArea | 314.45 |
| Relative PSA | 0.14909 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | 4.7424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 1-[(S)-(2-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine | 2 - 1-[(S)-(2-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
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