SMILES:
CC1CCC(N(C(=O)Nc2ncc(SC#N)s2)C2CCCCC2)CC1Molecular Processing
Molecular formula
C18H26N4OS2
Molecular weight
378.57
Exact mass
378.1548
XLogP
5.46
TPSA
69.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
102.73
Supplementary Information
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