C=CCCCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
Название: ( i )
SMILES: C=CCCCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O

Molecular Processing

Molecular formula
C24H27ClN4O3S
Molecular weight
487.03
Exact mass
486.1492
XLogP
4.65
TPSA
84.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
133.07

Supplementary Information

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