SMILES:
Cn1c(C#CC2(N)CCCCC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1Molecular Processing
Molecular formula
C23H23N7S
Molecular weight
429.55
Exact mass
429.1736
XLogP
3.75
TPSA
108.53
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
31
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
0.304
Molar refractivity
124.14
Supplementary Information
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