CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2OC)cc(CN2CCN(Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(C(=O)OCC)n3)CCN(Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(C(=O)OCC)n3)CC2)n1
Nom: compound 21
SMILES: CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2OC)cc(CN2CCN(Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(C(=O)OCC)n3)CCN(Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(C(=O)OCC)n3)CC2)n1

Molecular Processing

Molecular formula
C60H72N6O15
Molecular weight
1117.26
Exact mass
1116.5056
XLogP
8.3
TPSA
210.36
H-bond donors
0
H-bond acceptors
21
Rotatable bonds
24
Heavy atoms
81
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
301.69

Supplementary Information

Récupération des détails…

Impliqué dans 7 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→