الاسم: 1-{4′-[4-(6-bromo-pyridin-2-ylamino)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4Nc4cccc(Br)n4)cc3)cc2)CC1Molecular Processing
Molecular formula
C27H24BrN3O3
Molecular weight
518.41
Exact mass
517.1001
XLogP
6.81
TPSA
77.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
134.88
Supplementary Information
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