SMILES:
C=CC=CC=C(C)c1cc(N(C(=O)C2CCC(C)CC2)C2CCN(Cc3ccc(OC)cc3)C(=O)C2)c(C(=O)OC)s1Molecular Processing
Molecular formula
C34H42N2O5S
Molecular weight
590.79
Exact mass
590.2814
XLogP
7.04
TPSA
76.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
42
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.441
Molar refractivity
168.69
Supplementary Information
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