名称: 4-(3-Bromo-propoxy)-3-methyl-benzofuran-2-carboxylic acid (2-cyclohexyl-ethyl)-amide
SMILES:
Cc1c(C(=O)NCCC2CCCCC2)oc2cccc(OCCCBr)c12Molecular Processing
Molecular formula
C21H28BrNO3
Molecular weight
422.36
Exact mass
421.1253
XLogP
5.61
TPSA
51.47
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
108.38
Supplementary Information
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