CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)C1
SMILES: CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)C1

Molecular Processing

Molecular formula
C25H38N4O4S
Molecular weight
490.67
Exact mass
490.2614
XLogP
3.3
TPSA
93.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
132.12

Supplementary Information

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