名称: N-[(1S,2R)-3-{[1-(3-bromophenyl)cyclopropyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
SMILES:
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(Br)c2)CC1Molecular Processing
Molecular formula
C21H23BrF2N2O2
Molecular weight
453.33
Exact mass
452.0911
XLogP
3.41
TPSA
61.36
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
106.73
Supplementary Information
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