الاسم: Intermediate 122
SMILES:
CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2cccc3cncc(C#N)c23)CC1Molecular Processing
Molecular formula
C21H25N3O3
Molecular weight
367.45
Exact mass
367.1896
XLogP
4.32
TPSA
84.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
102.5
Supplementary Information
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