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1419101-35-1 | Cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl]-
CAS No: 1419101-35-1 Catalog No: AG001HCQ MDL No:
Product Description
Catalog Number:
AG001HCQ
Chemical Name:
Cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl]-
CAS Number:
1419101-35-1
Molecular Formula:
C26H27F3N2O6
Molecular Weight:
520.4976
IUPAC Name:
1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
InChI:
InChI=1S/C26H27F3N2O6/c1-24(2,13-33)21-9-14-8-18(17(27)10-19(14)31(21)11-15(34)12-32)30-23(35)25(6-7-25)16-4-3-5-20-22(16)37-26(28,29)36-20/h3-5,8-10,15,32-34H,6-7,11-13H2,1-2H3,(H,30,35)/t15-/m1/s1
InChI Key:
NXDMCSXKTNIDTQ-OAHLLOKOSA-N
SMILES:
OC[C@@H](Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1cccc2c1OC(O2)(F)F)O
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
520.182g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
520.505g/mol
Monoisotopic Mass:
520.182g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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