SMILES:
COC(=O)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3cc(C)ccc23)CC1Molecular Processing
Molecular formula
C24H26N4O5
Molecular weight
450.5
Exact mass
450.1903
XLogP
1.88
TPSA
116.09
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
122.81
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→