SMILES:
COc1ccc2c(-c3cccs3)nnc(NC3CCN(Cc4ccccc4)CC3)c2c1Molecular Processing
Molecular formula
C25H26N4OS
Molecular weight
430.58
Exact mass
430.1827
XLogP
5.44
TPSA
50.28
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
127.77
Supplementary Information
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