SMILES:
COc1cncc(-c2cc(-c3nc4cc(C)c([C@@H](CO)OC(C)(C)C)c(-c5ccc(Cl)cc5)c4s3)ccn2)c1Molecular Processing
Molecular formula
C31H30ClN3O3S
Molecular weight
560.12
Exact mass
559.1696
XLogP
7.91
TPSA
77.36
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
158.48
Supplementary Information
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