SMILES:
COC(=O)C1CCC(CN(C)c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1Molecular Processing
Molecular formula
C24H29N5O2S
Molecular weight
451.6
Exact mass
451.2042
XLogP
5.07
TPSA
80.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
128.34
Supplementary Information
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