SMILES:
CN(SN(CCC#N)CCC#N)C(=O)Oc1cccc2c1OC(C)(C)C2Molecular Processing
Molecular formula
C18H22N4O3S
Molecular weight
374.47
Exact mass
374.1413
XLogP
3.52
TPSA
89.59
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
98.26
Supplementary Information
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