Name: compound
SMILES:
Cl.NCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H21Cl2F6N5O3
Molecular weight
588.34
Exact mass
587.0926
XLogP
3.55
TPSA
115.17
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
127.62
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→