Cl.O=C([C@H]1CC[C@H](NN2C=NCC2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
SMILES: Cl.O=C([C@H]1CC[C@H](NN2C=NCC2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

Molecular Processing

Molecular formula
C24H31Cl2N5O3S
Molecular weight
540.52
Exact mass
539.1525
XLogP
3.16
TPSA
85.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
140.49

Supplementary Information

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