(5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
Formula:C31H27N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one |
| MolecularFormula | C31H27N4O2FS |
| Smiles | O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cccc1)c1F |
| InChI | InChI=1S/C31H27FN4O2S/c32-27-12-6-5-9-23(27)21-38-26-15-13-22(14-16-26)29-24(20-36(34-29)25-10-3-1-4-11-25)19-28-30(37)33-31(39-28)35-17-7-2-8-18-35/h1,3-6,9-16,19-20H,2,7-8,17-18,21H2 |
| InChIK | WLIKRNXEIQVZKT-UHFFFAOYSA-N |
| TotalMolweight | 538.645 |
| Molweight | 538.645 |
| MonoisotopicMass | 538.183874 |
| CLogP | 5.1169 |
| CLogS | -6.967 |
| H Acceptors | 6 |
| TotalSurfaceArea | 405.63 |
| Relative PSA | 0.18103 |
| PolarSurfaceArea | 85.02 |
| Druglikeness | 2.703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
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