Name: 3-bromo-1-methyl-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazine
SMILES:
Cc1ccc(S(=O)(=O)n2ccc3c2ncc2c(Br)nc(C)n23)cc1Molecular Processing
Molecular formula
C16H13BrN4O2S
Molecular weight
405.28
Exact mass
403.9943
XLogP
3.3
TPSA
69.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
94.68
Supplementary Information
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