CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCC(=O)O)cc2S(=O)(=O)C1
SMILES: CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCC(=O)O)cc2S(=O)(=O)C1

Molecular Processing

Molecular formula
C23H28BrNO5S
Molecular weight
510.45
Exact mass
509.0872
XLogP
5.42
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
125.02

Supplementary Information

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