SMILES:
COc1cnc(C(=O)Nc2ccc(F)c([C@]34CN(c5ncc(F)cn5)C[C@H]3CSC(N)=N4)c2)cn1.ClMolecular Processing
Molecular formula
C22H21ClF2N8O2S
Molecular weight
534.98
Exact mass
534.1165
XLogP
2.62
TPSA
131.51
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
133.64
Supplementary Information
Загрузка подробностей…
Участвует в 2 реакциях→