Nom: title compound
SMILES:
C=C(C)c1cnc(O[C@@H]2C[C@H]3CN(S(=O)(=O)c4cccc(C(C)(C)C)n4)CCN3C2)cn1Molecular Processing
Molecular formula
C23H31N5O3S
Molecular weight
457.6
Exact mass
457.2148
XLogP
2.73
TPSA
88.52
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
122.83
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→