CCN1CCN(C(=O)c2csc(N3CCc4c(-c5cnc(N(Cc6ccc(OC)cc6)Cc6ccc(OC)cc6)nc5)nc(N5CCOCC5)nc43)n2)CC1
SMILES: CCN1CCN(C(=O)c2csc(N3CCc4c(-c5cnc(N(Cc6ccc(OC)cc6)Cc6ccc(OC)cc6)nc5)nc(N5CCOCC5)nc43)n2)CC1

Molecular Processing

Molecular formula
C40H46N10O4S
Molecular weight
762.94
Exact mass
762.3424
XLogP
4.92
TPSA
125.41
H-bond donors
0
H-bond acceptors
14
Rotatable bonds
12
Heavy atoms
55
Rings
8
Aromatic rings
5
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
212.81

Supplementary Information

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