COC(=O)C=Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)O2
SMILES: COC(=O)C=Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)O2

Molecular Processing

Molecular formula
C21H26N2O6
Molecular weight
402.45
Exact mass
402.1791
XLogP
2.72
TPSA
94.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
105.36

Supplementary Information

Récupération des détails…

Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→