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Structure
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| Relationships |
Total Number of functionally related protein(s) :
14
Total Number of Articles : 10
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| PubChem |
49868481
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| Molecular Formula |
C20H17F3N2O2S |
| SMILES |
CCS(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC(=CC=C2)OCC3=CC=CC=C3 |
| InChI |
InChI=1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3 |
| synonyms |
- BETP
- 1371569-69-5
- (4-(3-Benzyloxyphenyl)-2-ethylsulfinyl-6-(trifluoromethyl)pyrimidine
- 2-ethylsulfinyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine
- 4-(3-(benzyloxy)phenyl)-2-(ethylsulfinyl)-6-(trifluoromethyl)pyrimidine
- NTDFYGSSDDMNHI-UHFFFAOYSA-N
- GTPL7585
- CHEMBL4303527
- SCHEMBL20657432
- GLXC-02407
- BCP19312
- BETP, >=98% (HPLC)
- AKOS024458341
- NCGC00379201-03
- AS-72369
- HY-103546
- CS-0028074
- E78417
- Q27075182
- 2-(ethylsulfinyl)-4-(3-(phenylmethoxy)phenyl)-6-(trifluoromethyl)pyrimidine
- (4-(3-(benzyloxy) phenyl)-2-(ethylsulfinyl)-6-(trifluoromethyl) -pyrimidine
- 4-[3-(BENZYLOXY)PHENYL]-2-(ETHANESULFINYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE
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| Properties |
| Property |
Value |
| MW |
406.4 g/mol |
| HBD |
0 |
| HBA |
8 |
| Rotatable Bond Count |
6 |
| Exact Mass |
406.09628345 g/mol |
| Monoisotopic Mass |
406.09628345 g/mol |
| Heavy Atom Count |
28 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
514 |
| xlogp |
4 |
| Topological Polar Surface Area |
71.3 |
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