COCCN(C)C(=O)N1CCN(Cc2cc3nc(-c4ccc(C)nc4)nc(N4CCOCC4)c3s2)CC1
SMILES: COCCN(C)C(=O)N1CCN(Cc2cc3nc(-c4ccc(C)nc4)nc(N4CCOCC4)c3s2)CC1

Molecular Processing

Molecular formula
C26H35N7O3S
Molecular weight
525.68
Exact mass
525.2522
XLogP
2.71
TPSA
87.16
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
145.17

Supplementary Information

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