CCCCc1cn(C(C)(C)C)s/c1=N\C(=O)C1(C)CCC(C(=O)O)C1(C)C
Nom: product
SMILES: CCCCc1cn(C(C)(C)C)s/c1=N\C(=O)C1(C)CCC(C(=O)O)C1(C)C

Molecular Processing

Molecular formula
C21H34N2O3S
Molecular weight
394.58
Exact mass
394.229
XLogP
4.6
TPSA
71.66
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
108.73

Supplementary Information

Récupération des détails…

Impliqué dans 11 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→