SMILES:
COCCOCOc1c(C#N)ccc(C(Br)C(=O)OC(c2ccccc2)c2ccccc2)c1OCOCCOCMolecular Processing
Molecular formula
C30H32BrNO8
Molecular weight
614.49
Exact mass
613.1311
XLogP
5.33
TPSA
105.47
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
17
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
150.29
Supplementary Information
Fetching details…
Involved in 5 reactions→