COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCCN2CCOC(C)C2=O)Cc2ccc(C(=O)OC)cc2)cc1
SMILES: COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCCN2CCOC(C)C2=O)Cc2ccc(C(=O)OC)cc2)cc1

Molecular Processing

Molecular formula
C38H45NO7
Molecular weight
627.78
Exact mass
627.3196
XLogP
6.56
TPSA
91.37
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
46
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.395
Molar refractivity
177.89

Supplementary Information

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