SMILES:
CC1(C)CC(c2cccc(N3CCCC3)c2)Nc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21Molecular Processing
Molecular formula
C25H31N3O3S
Molecular weight
453.61
Exact mass
453.2086
XLogP
4.34
TPSA
78.51
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
127.75
Supplementary Information
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