SMILES:
CCCCCCCCCCCCCCCC(=O)OC(CONC(=N)c1cccnc1)CN1CCCCC1.ClMolecular Processing
Molecular formula
C30H53ClN4O3
Molecular weight
553.23
Exact mass
552.3806
XLogP
7.23
TPSA
87.54
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
21
Heavy atoms
38
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.767
Molar refractivity
157.88
Supplementary Information
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