Cc1cc(C)n2nc(SC3=C(O)CC(CCNC(=O)CCc4ccco4)(C4CCCC4)OC3=O)nc2n1
SMILES: Cc1cc(C)n2nc(SC3=C(O)CC(CCNC(=O)CCc4ccco4)(C4CCCC4)OC3=O)nc2n1

Molecular Processing

Molecular formula
C26H31N5O5S
Molecular weight
525.63
Exact mass
525.2046
XLogP
4.21
TPSA
131.85
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
37
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
0.5
Molar refractivity
135.82

Supplementary Information

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