2-(2-fluorophenoxy)-1-[(7E)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
Formula:C24H21N2O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-fluorophenoxy)-1-[(7E)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is not a drug-like molecule.
| MolName | 2-(2-fluorophenoxy)-1-[(7E)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone |
| MolecularFormula | C24H21N2O2FS2 |
| Smiles | O=C(COc(cccc1)c1F)N(C(C1CCC2)c3cccs3)N=C1/C2=C/c1cccs1 |
| InChI | InChI=1S/C24H21FN2O2S2/c25-19-9-1-2-10-20(19)29-15-22(28)27-24(21-11-5-13-31-21)18-8-3-6-16(23(18)26-27)14-17-7-4-12-30-17/h1-2,4-5,7,9-14,18,24H,3,6,8,15H2 |
| InChIK | YHXRHIJYBLKGKK-UHFFFAOYSA-N |
| TotalMolweight | 452.573 |
| Molweight | 452.573 |
| MonoisotopicMass | 452.102846 |
| CLogP | 5.2654 |
| CLogS | -5.686 |
| H Acceptors | 4 |
| TotalSurfaceArea | 329.78 |
| Relative PSA | 0.23901 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 0.78199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(2-fluorophenoxy)-1-[(7E)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-(2-fluorophenoxy)-1-[(7E)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
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