SMILES:
Cc1cc2cc(Nc3ccnc4cc(C(=O)NCCCN5CCN(C)CC5)sc34)ccc2[nH]1Molecular Processing
Molecular formula
C25H30N6OS
Molecular weight
462.62
Exact mass
462.2202
XLogP
4.2
TPSA
76.29
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
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
0.36
Molar refractivity
136.83
Supplementary Information
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