Nom: mixture
SMILES:
CC(C)(C)OC(=O)N1CC=C(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1Molecular Processing
Molecular formula
C23H24BrN3O4S
Molecular weight
518.43
Exact mass
517.0671
XLogP
5.06
TPSA
81.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
126.86
Supplementary Information
Récupération des détails…
Impliqué dans 6 réactions→