Cc1cc(-c2ncn(Cc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1
SMILES: Cc1cc(-c2ncn(Cc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1

Molecular Processing

Molecular formula
C21H18FN5OS
Molecular weight
407.47
Exact mass
407.1216
XLogP
3.83
TPSA
72.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
108.98

Supplementary Information

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