SMILES:
CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(N(CCCC)CCCC)s2)C1=OMolecular Processing
Molecular formula
C24H33N3O2S
Molecular weight
427.61
Exact mass
427.2293
XLogP
5.55
TPSA
64.41
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
124.27
Supplementary Information
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