名称: (1-{2-[5-(4-Bromo-naphthalen-1-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
SMILES:
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(Br)c3ccccc23)[nH]1)C(C)CMolecular Processing
Molecular formula
C24H27BrN4O3
Molecular weight
499.41
Exact mass
498.1267
XLogP
5.04
TPSA
87.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
127.08
Supplementary Information
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