CC1(C)CN(C2CC3(C)C(CCC4C5CCC(C(=O)CC#N)C5(C)CC(=O)C43)CC2O)CCO1
SMILES: CC1(C)CN(C2CC3(C)C(CCC4C5CCC(C(=O)CC#N)C5(C)CC(=O)C43)CC2O)CCO1

Molecular Processing

Molecular formula
C28H42N2O4
Molecular weight
470.65
Exact mass
470.3145
XLogP
3.76
TPSA
90.63
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.893
Molar refractivity
127.63

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→