SMILES:
COc1cc(OC)c(CCC2(C3CCCC3)CC(O)=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1ClMolecular Processing
Molecular formula
C27H31ClN4O5S
Molecular weight
559.09
Exact mass
558.1704
XLogP
5.78
TPSA
108.07
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
144.04
Supplementary Information
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