Cc1cc(C)c(CNC(=O)c2cc(C3CCN(C4CCN(S(C)(=O)=O)CC4)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1
SMILES: Cc1cc(C)c(CNC(=O)c2cc(C3CCN(C4CCN(S(C)(=O)=O)CC4)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

Molecular Processing

Molecular formula
C29H41N7O4S
Molecular weight
583.76
Exact mass
583.2941
XLogP
2.85
TPSA
133.29
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
158.61

Supplementary Information

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