SMILES:
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc(OC2CCNCC2)n1Molecular Processing
Molecular formula
C23H21ClN4O2S
Molecular weight
452.97
Exact mass
452.1074
XLogP
4.35
TPSA
69.04
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
124.18
Supplementary Information
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