SMILES:
COc1cc(C(=O)N(CC(C)=Cc2ccccc2)CC2CC(O)CN2C2CCOCC2)cc2c1OC(C)(C)O2Molecular Processing
Molecular formula
C31H40N2O6
Molecular weight
536.67
Exact mass
536.2886
XLogP
4.36
TPSA
80.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
149.28
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→