Name: 2-(2-(3-(4-(2-hydroxypropan-2-yl)phenyl)-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)benzyl)isoindoline-1,3-dione
SMILES:
Cc1ccc(S(=O)(=O)n2ccc3c2ncc2c(-c4ccc(C(C)(C)O)cc4)nc(-c4ccccc4CN4C(=O)c5ccccc5C4=O)n23)cc1Molecular Processing
Molecular formula
C39H31N5O5S
Molecular weight
681.77
Exact mass
681.2046
XLogP
6.59
TPSA
126.87
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
50
Rings
8
Aromatic rings
7
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.128
Molar refractivity
189.01
Supplementary Information
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