Name: compound 63a
SMILES:
COc1cc2ccccc2nc1/C=C/c1nc2c(N3CCOCC3)ccnn2c1-c1ccc(C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C33H33N5O4
Molecular weight
563.66
Exact mass
563.2533
XLogP
5.92
TPSA
91.08
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
42
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
163.85
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→