SMILES:
C#CCNC(NCCSCc1[nH]cnc1C)=C(C#N)C(=O)OCMolecular Processing
Molecular formula
C15H19N5O2S
Molecular weight
333.42
Exact mass
333.1259
XLogP
0.67
TPSA
102.83
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
88.98
Supplementary Information
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