SMILES:
Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(N2CCOCC2)n1Molecular Processing
Molecular formula
C29H39N7O4S
Molecular weight
581.74
Exact mass
581.2784
XLogP
2.55
TPSA
99.44
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
41
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
161.28
Supplementary Information
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