| MolName | (2-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone |
| MolecularFormula | C20H17N3OF2S |
| Smiles | O=C(c(cccc1)c1F)N(CC1)CCN1c1nc(-c(cc2)ccc2F)cs1 |
| InChI | InChI=1S/C20H17F2N3OS/c21-15-7-5-14(6-8-15)18-13-27-20(23-18)25-11-9-24(10-12-25)19(26)16-3-1-2-4-17(16)22/h1-8,13H,9-12H2 |
| InChIK | STTKPAKSNBKHAT-UHFFFAOYSA-N |
| TotalMolweight | 385.437 |
| Molweight | 385.437 |
| MonoisotopicMass | 385.106038 |
| CLogP | 4.5156 |
| CLogS | -4.812 |
| H Acceptors | 4 |
| TotalSurfaceArea | 280.07 |
| Relative PSA | 0.18378 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | 6.5659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone | 2 - (2-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone