SMILES:
COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nnc(CN(C)C)n3C)C(=O)O2)cc1ClMolecular Processing
Molecular formula
C25H33ClN4O4S
Molecular weight
521.08
Exact mass
520.1911
XLogP
4.91
TPSA
89.71
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
135.63
Supplementary Information
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