Name: tert-butyl 4-(2-(3,4-diaminophenoxy)ethyl)piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N)c(N)c2)CC1Molecular Processing
Molecular formula
C17H28N4O3
Molecular weight
336.44
Exact mass
336.2161
XLogP
1.78
TPSA
94.05
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
95.01
Supplementary Information
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