Название: (1-{7-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-oxa-6-aza-spiro[3.4]octane-6-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
SMILES:
COC(=O)NC(C(=O)N1OC2(CCC2)CC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)CMolecular Processing
Molecular formula
C22H27BrN4O4
Molecular weight
491.39
Exact mass
490.1216
XLogP
4.35
TPSA
96.55
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
117.76
Supplementary Information
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