SMILES:
CCCCCN[C@@H]1CN(c2nc3cccc(C(=O)OCC)c3s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1Molecular Processing
Molecular formula
C26H35ClN6O3S
Molecular weight
547.13
Exact mass
546.218
XLogP
4.57
TPSA
112.24
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
147.95
Supplementary Information
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