Molecular Structure:
CCD No.:CCD00448835
BEFIRADOL
CAS No.:
208110-64-9
Formula:C20 H22 Cl F2 N3 O
MolWeight:393.863
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| Product Name： | BEFIRADOL |
| CAS： | 208110-64-9 |
| English Synonyms： | (3-CHLORO-4-FLUORO-PHENYL)-(4-FLUORO-4-([(5-METHYL-PYRIDIN-2-YLMETHYL)-AMINO]-METHYL)-PIPERIDIN-1-YL)-METHANONE ; ((1-[(3-CHLORO-4-FLUOROPHENYL)CARBONYL]-4-FLUOROPIPERIDIN-4-YL)METHYL)[(5-METHYLPYRIDIN-2-YL)METHYL]AMINE ; BEFIRADOL |
| MDL Number.： | MFCD04113187 |
| H bond acceptor： | 4 |
| H bond donor： | 1 |
| Smile： | Cc1ccc(nc1)CNCC2(CCN(CC2)C(=O)c3ccc(c(c3)Cl)F)F |
| InChi： | InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3 |
| InChiKey： | InChIKey=PKZXLMVXBZICTF-UHFFFAOYSA-N |
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