SMILES:
O=S1CCc2nc(N3CCN(c4ccc(Cl)cc4)CC3)nc(N[C@@H](CO)Cc3ccc(O)cc3)c21Molecular Processing
Molecular formula
C25H28ClN5O3S
Molecular weight
514.05
Exact mass
513.1601
XLogP
2.84
TPSA
101.82
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
139.2
Supplementary Information
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