Name: 3-Hydroxy-2,2-dimethyl-3-[6-(2-methyl-quinolin-4-ylmethoxy)-naphthalen-2-yl]-propionic acid ethyl ester
SMILES:
CCOC(=O)C(C)(C)C(O)c1ccc2cc(OCc3cc(C)nc4ccccc34)ccc2c1Molecular Processing
Molecular formula
C28H29NO4
Molecular weight
443.54
Exact mass
443.2097
XLogP
5.9
TPSA
68.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
130.13
Supplementary Information
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