CC(=O)OC1C(c2ccc(C(C)(C)C)cc2)=C(c2ccc(S(C)(=O)=O)cc2)CC1CN(C)C
SMILES: CC(=O)OC1C(c2ccc(C(C)(C)C)cc2)=C(c2ccc(S(C)(=O)=O)cc2)CC1CN(C)C

Molecular Processing

Molecular formula
C27H35NO4S
Molecular weight
469.65
Exact mass
469.2287
XLogP
4.81
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
133.72

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→