SMILES:
Cl.Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2c3cc(-c4csc(CNCCN5CCOCC5)n4)ccc3n(C)c21Molecular Processing
Molecular formula
C29H30Cl3N5O2S
Molecular weight
619.02
Exact mass
617.1186
XLogP
5.97
TPSA
64.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.31
Molar refractivity
168.44
Supplementary Information
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