이름: tert-butyl 2-(4-bromobenzyl)-2-{[(2-hydroxy-4,4-dimethylhexyl)amino]carbonyl}pyrrolidine-1-carboxylate
SMILES:
CCC(C)(C)CC(O)CNC(=O)C1(Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C25H39BrN2O4
Molecular weight
511.5
Exact mass
510.2093
XLogP
5.06
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
130.46
Supplementary Information
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