SMILES:
O=C([C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1Molecular Processing
Molecular formula
C31H34N4O4S
Molecular weight
558.7
Exact mass
558.2301
XLogP
3.61
TPSA
102.84
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
155.45
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→