이름: N-trityl-N-[2-(4-(benzoxazol-2-yl)benzyloxy)ethyl]-2-(prop-2-ynyloxy)ethanamine
SMILES:
C#CCOCCN(CCOCc1ccc(-c2nc3ccccc3o2)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C40H36N2O3
Molecular weight
592.74
Exact mass
592.2726
XLogP
7.96
TPSA
47.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
45
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.175
Molar refractivity
179.53
Supplementary Information
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