名称: (1-{2-[(4-bromo-benzoylamino)-methyl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
SMILES:
COC(=O)NC(C(=O)N1CCCC1CNC(=O)c1ccc(Br)cc1)C(C)CMolecular Processing
Molecular formula
C19H26BrN3O4
Molecular weight
440.34
Exact mass
439.1107
XLogP
2.55
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
105.38
Supplementary Information
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