SMILES:
CN(C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1)C1CCNC1Molecular Processing
Molecular formula
C24H21ClF3N5OS
Molecular weight
519.98
Exact mass
519.1107
XLogP
5.02
TPSA
62.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
132.34
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→