이름: 4-{2-[4-(5-Amino-3-tert-butyl-pyrazol-1-yl)-phenoxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(CCOc2ccc(-n3nc(C(C)(C)C)cc3N)cc2)CC1Molecular Processing
Molecular formula
C25H38N4O3
Molecular weight
442.6
Exact mass
442.2944
XLogP
5.17
TPSA
82.61
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
127.32
Supplementary Information
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