SMILES:
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4nccn4CCC)nc2)CCN3CC(C)C)cc1Molecular Processing
Molecular formula
C39H49N5O4S
Molecular weight
683.92
Exact mass
683.3505
XLogP
7.75
TPSA
98.58
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.41
Molar refractivity
198.24
Supplementary Information
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