COc1cccc(CCc2cc(NC(=O)c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n[nH]2)c1
SMILES: COc1cccc(CCc2cc(NC(=O)c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n[nH]2)c1

Molecular Processing

Molecular formula
C24H29N5O4S
Molecular weight
483.59
Exact mass
483.194
XLogP
2.54
TPSA
107.63
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
132.01

Supplementary Information

Details werden geladen…

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