SMILES:
COC(=O)COc1ccc(CC(C)NCC(O)c2csc(-c3ccccc3)n2)cc1Molecular Processing
Molecular formula
C23H26N2O4S
Molecular weight
426.54
Exact mass
426.1613
XLogP
3.62
TPSA
80.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
117.63
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→