SMILES:
N#Cc1cncc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1Molecular Processing
Molecular formula
C21H23N7OS
Molecular weight
421.53
Exact mass
421.1685
XLogP
1.87
TPSA
90.2
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
116.54
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→