Name: (S)-4-(3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-((2,4-dimethoxybenzyl)amino)imidazo[1,5-a]pyrazin-1-yl)benzoic acid
SMILES:
COc1ccc(CNc2nccn3c([C@@H]4CCCn5c(C6CC6)nnc54)nc(-c4ccc(C(=O)O)cc4)c23)c(OC)c1Molecular Processing
Molecular formula
C31H31N7O4
Molecular weight
565.63
Exact mass
565.2438
XLogP
5.12
TPSA
128.69
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
42
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
155.33
Supplementary Information
Details werden geladen…
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