이름: 1-{4′-[3-methyl-4-(3-phenethyl-oxiranyl)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C4OC4CCc4ccccc4)cc3)cc2)CC1Molecular Processing
Molecular formula
C32H31NO4
Molecular weight
493.6
Exact mass
493.2253
XLogP
6.98
TPSA
64.86
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
142.03
Supplementary Information
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