Name: methyl ether
SMILES:
COc1ccc2c(c1)c1c3c(c(-c4ccccc4)cc1n2CCC(=O)NCCN(C)C)C(=O)NC3=OMolecular Processing
Molecular formula
C28H28N4O4
Molecular weight
484.56
Exact mass
484.2111
XLogP
3.42
TPSA
92.67
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
139.41
Supplementary Information
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