SMILES:
N=C(Nc1ccc2nc(NCCN3CCCC3)sc2c1)c1cccs1Molecular Processing
Molecular formula
C18H21N5S2
Molecular weight
371.53
Exact mass
371.1238
XLogP
4.3
TPSA
64.04
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
108.55
Supplementary Information
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