SMILES:
COCC1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)OC)c(C)sc4c3)c2s1Molecular Processing
Molecular formula
C25H24N2O5S2
Molecular weight
496.61
Exact mass
496.1127
XLogP
5.65
TPSA
77.96
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
133.53
Supplementary Information
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