名称: ethyl 2-(4-isopropylphenoxy)-3-[4-[2-[2-(4-methoxyphenyl)pyridine-5-carbonylamino]ethoxy]phenyl]-2-methylpropionate
SMILES:
CCOC(=O)C(C)(Cc1ccc(OCCNC(=O)c2ccc(-c3ccc(OC)cc3)nc2)cc1)Oc1ccc(C(C)C)cc1Molecular Processing
Molecular formula
C36H40N2O6
Molecular weight
596.72
Exact mass
596.2886
XLogP
6.63
TPSA
95.98
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
44
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.306
Molar refractivity
170.4
Supplementary Information
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