SMILES:
Cn1c(CN2CCC(N3CCOCC3)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)c4ccccc34)nc21Molecular Processing
Molecular formula
C29H37N9O2
Molecular weight
543.68
Exact mass
543.307
XLogP
2.29
TPSA
110.69
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
40
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
155.18
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→