Nom: ethyl {1-benzyl-4-[(2-hydroxyethyl)sulfanyl]-4-piperidinyl}({[4-(2-butynyloxy)phenyl]sulfonyl}amino)acetate
SMILES:
CC#CCOc1ccc(S(=O)(=O)NC(C(=O)OCC)C2(SCCO)CCN(Cc3ccccc3)CC2)cc1Molecular Processing
Molecular formula
C28H36N2O6S2
Molecular weight
560.74
Exact mass
560.2015
XLogP
3.06
TPSA
105.17
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
149.36
Supplementary Information
Récupération des détails…
Impliqué dans 8 réactions→