CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(Cl)cc21
SMILES: CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(Cl)cc21

Molecular Processing

Molecular formula
C35H41ClFN5O7S
Molecular weight
730.26
Exact mass
729.2399
XLogP
3.94
TPSA
121.82
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
50
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.457
Molar refractivity
185.1

Supplementary Information

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