SMILES:
COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CC=O)ccc3OC)(N3CC(O)CC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC(F)(F)F)c1Molecular Processing
Molecular formula
C32H31ClF3N3O9S
Molecular weight
726.13
Exact mass
725.1422
XLogP
3.5
TPSA
142.99
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.344
Molar refractivity
169.15
Supplementary Information
Загрузка подробностей…
Участвует в 8 реакциях→