SMILES:
COc1cc(C2CC(N3CCOCC3)Oc3cc(N(C)C)ccc32)cc(Br)c1OCMolecular Processing
Molecular formula
C23H29BrN2O4
Molecular weight
477.4
Exact mass
476.1311
XLogP
4.11
TPSA
43.4
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
121.28
Supplementary Information
Fetching details…
Involved in 5 reactions→