이름: (3-{2-[(acetyl-ethyl-amino)-methyl]-4-amino-phenoxy}-4-methoxy-phenyl)-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1ccc(OC)c(Oc2ccc(N)cc2CN(CC)C(C)=O)c1Molecular Processing
Molecular formula
C22H28N2O5
Molecular weight
400.48
Exact mass
400.1998
XLogP
3.54
TPSA
91.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
111.02
Supplementary Information
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