Cl.Cl.O=C1CSc2ccc(CNC3CCN(CC4Cn5c(=O)ccc6ncc(Cl)c4c65)CC3)nc2N1
SMILES: Cl.Cl.O=C1CSc2ccc(CNC3CCN(CC4Cn5c(=O)ccc6ncc(Cl)c4c65)CC3)nc2N1

Molecular Processing

Molecular formula
C24H27Cl3N6O2S
Molecular weight
569.95
Exact mass
568.0982
XLogP
3.68
TPSA
92.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
3
Fraction Csp3
0.417
Molar refractivity
148.14

Supplementary Information

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