CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21
SMILES: CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21

Molecular Processing

Molecular formula
C31H38N6O2
Molecular weight
526.69
Exact mass
526.3056
XLogP
4.63
TPSA
95.05
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
157.7

Supplementary Information

Récupération des détails…

Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→