SMILES:
Cc1csc2nc(C(C)Nc3ncnc4[nH]cnc34)c(-c3ccncc3)c(=O)n12Molecular Processing
Molecular formula
C19H16N8OS
Molecular weight
404.46
Exact mass
404.1168
XLogP
2.97
TPSA
113.75
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
111.03
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→