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1384984-18-2 | Urea, N-ethyl-N'-[6-fluoro-5-[2-(1-hydroxy-1-methylethyl)-5-pyrimidinyl]-7-[(2R)-tetrahydro-2-furanyl]-1H-benzimidazol-2-yl]-
CAS No: 1384984-18-2 Catalog No: AG0019AI MDL No:
Product Description
Catalog Number:
AG0019AI
Chemical Name:
Urea, N-ethyl-N'-[6-fluoro-5-[2-(1-hydroxy-1-methylethyl)-5-pyrimidinyl]-7-[(2R)-tetrahydro-2-furanyl]-1H-benzimidazol-2-yl]-
CAS Number:
1384984-18-2
Molecular Formula:
C21H25FN6O3
Molecular Weight:
428.4600
IUPAC Name:
1-ethyl-3-[5-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-4-[(2R)-oxolan-2-yl]-1H-benzimidazol-2-yl]urea
InChI:
InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1
InChI Key:
BKUISYCLLXCBJV-CQSZACIVSA-N
SMILES:
CCNC(=O)Nc1[nH]c2c(n1)cc(c(c2[C@H]1CCCO1)F)c1cnc(nc1)C(O)(C)C
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
428.197g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
428.468g/mol
Monoisotopic Mass:
428.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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