SMILES:
Cc1c(C(=O)Nc2ccc(N3CCN(C4CCSCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C27H29ClN6OS
Molecular weight
521.09
Exact mass
520.1812
XLogP
4.98
TPSA
77.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
146.55
Supplementary Information
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