COc1ccc(S(C)(c2ccc(OC)cc2)c2ccc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)cc2)cc1
SMILES: COc1ccc(S(C)(c2ccc(OC)cc2)c2ccc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)cc2)cc1

Molecular Processing

Molecular formula
C39H37NO5S
Molecular weight
631.79
Exact mass
631.2392
XLogP
8.99
TPSA
66.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.205
Molar refractivity
183.02

Supplementary Information

Récupération des détails…

Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→