C=Cc1ccccc1CCCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1)[SH](=O)=O
SMILES: C=Cc1ccccc1CCCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1)[SH](=O)=O

Molecular Processing

Molecular formula
C30H31N3O4S
Molecular weight
529.66
Exact mass
529.2035
XLogP
5.65
TPSA
92.51
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
152.06

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→