SMILES:
CN(C)C(=O)c1cccc(-c2ccc(C3(c4nnc5n4CCSC(C)(CO)C5)CC3)cc2)c1Molecular Processing
Molecular formula
C26H30N4O2S
Molecular weight
462.62
Exact mass
462.2089
XLogP
3.77
TPSA
71.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
131.58
Supplementary Information
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