CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.Cl.Cl
SMILES: CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.Cl.Cl

Molecular Processing

Molecular formula
C30H34Cl3N3O2S
Molecular weight
607.05
Exact mass
605.1437
XLogP
7.95
TPSA
54.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.333
Molar refractivity
167.27

Supplementary Information

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