Name: (S)-methyl 4-(3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-yl)-8-((2,4-dimethoxybenzyl)amino)imidazo[1,5-a]pyrazin-1-yl)benzoate
SMILES:
COC(=O)c1ccc(-c2nc([C@@H]3CCCn4c(C5CC5)nnc43)n3ccnc(NCc4ccc(OC)cc4OC)c23)cc1Molecular Processing
Molecular formula
C32H33N7O4
Molecular weight
579.66
Exact mass
579.2594
XLogP
5.21
TPSA
117.69
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
43
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
0.344
Molar refractivity
159.71
Supplementary Information
Details werden geladen…
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