Name: (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cycloheptyl)-methanone
SMILES:
CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCCC1Molecular Processing
Molecular formula
C15H18BrN3O
Molecular weight
336.23
Exact mass
335.0633
XLogP
4.26
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
81.73
Supplementary Information
Details werden geladen…
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