CCN1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1
SMILES: CCN1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1

Molecular Processing

Molecular formula
C26H34N6O3S
Molecular weight
510.66
Exact mass
510.2413
XLogP
2.96
TPSA
100.55
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
141.5

Supplementary Information

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