SMILES:
Cc1ccncc1-c1ccc(C2(c3nnc4n3CCSC(C)(CO)C4)CC2)cc1Molecular Processing
Molecular formula
C23H26N4OS
Molecular weight
406.56
Exact mass
406.1827
XLogP
3.77
TPSA
63.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
116.1
Supplementary Information
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