CC(C)(C)OC(=O)C1N(S(=O)(=O)c2ccc(OCC#CCO)cc2)CCSC1(C)C
SMILES: CC(C)(C)OC(=O)C1N(S(=O)(=O)c2ccc(OCC#CCO)cc2)CCSC1(C)C

Molecular Processing

Molecular formula
C21H29NO6S2
Molecular weight
455.6
Exact mass
455.1436
XLogP
2.29
TPSA
93.14
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
116.86

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→