이름: 6-[5-(4-bromo-phenyl)-1H-imidazol-2-yl]-4-oxo-hexahydro-pyrrolo[1,2-a]pyrazine-2-carboxylic acid methyl ester
SMILES:
COC(=O)N1CC(=O)N2C(CCC2c2ncc(-c3ccc(Br)cc3)[nH]2)C1Molecular Processing
Molecular formula
C18H19BrN4O3
Molecular weight
419.28
Exact mass
418.0641
XLogP
2.95
TPSA
78.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
98.31
Supplementary Information
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