SMILES:
COC(=O)CCC(C)(C)Nc1nc(-c2ccc(C#N)cc2)cs1Molecular Processing
Molecular formula
C17H19N3O2S
Molecular weight
329.43
Exact mass
329.1198
XLogP
3.83
TPSA
75.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
91.22
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→