Name: (9H-fluoren-9-yl)methyl 2-((3-(4-(2-hydroxypropan-2-yl)phenyl)-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)methoxy)ethylcarbamate
SMILES:
Cc1ccc(S(=O)(=O)n2ccc3c2ncc2c(-c4ccc(C(C)(C)O)cc4)nc(COCCNC(=O)OCC4c5ccccc5-c5ccccc54)n23)cc1Molecular Processing
Molecular formula
C42H39N5O6S
Molecular weight
741.87
Exact mass
741.2621
XLogP
7.18
TPSA
137.05
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
54
Rings
8
Aromatic rings
7
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
205.65
Supplementary Information
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