이름: 1-[4′-(4-Benzyloxycarbonylmethyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC(=O)OCc4ccccc4)cc3)cc2)CC1Molecular Processing
Molecular formula
C31H29NO5
Molecular weight
495.58
Exact mass
495.2046
XLogP
6.2
TPSA
78.63
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
139.6
Supplementary Information
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