Name: {3-[(4-pyrimidin-5-yl-benzylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3cncnc3)cc2)c1Molecular Processing
Molecular formula
C24H27N3O3
Molecular weight
405.5
Exact mass
405.2052
XLogP
4.15
TPSA
73.34
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
115.79
Supplementary Information
Details werden geladen…
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