Name: compound ( 49 )
SMILES:
Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1Molecular Processing
Molecular formula
C25H28N4O5S
Molecular weight
496.59
Exact mass
496.178
XLogP
2.34
TPSA
121.46
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
128.55
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→