CSCCN1CSC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O
SMILES: CSCCN1CSC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

Molecular Processing

Molecular formula
C21H31NO2S2
Molecular weight
393.62
Exact mass
393.1796
XLogP
5.22
TPSA
40.54
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
116.04

Supplementary Information

Récupération des détails…

Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→