SMILES:
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CC1Molecular Processing
Molecular formula
C25H28N6O2S
Molecular weight
476.61
Exact mass
476.1994
XLogP
5.38
TPSA
99.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
134.56
Supplementary Information
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