Name: 3-(4-acetoamidophthalimido)-3-(3-cyclopentyloxy-4-methoxyphenyl)propanoic acid
SMILES:
COc1ccc(C(CC(=O)O)N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1OC1CCCC1Molecular Processing
Molecular formula
C25H26N2O7
Molecular weight
466.49
Exact mass
466.174
XLogP
3.79
TPSA
122.24
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
122.12
Supplementary Information
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