SMILES:
CC(C)(O)c1cc2nc(-c3cnc(N)c4ccccc34)nc(N3CCOCC3)c2s1Molecular Processing
Molecular formula
C22H23N5O2S
Molecular weight
421.53
Exact mass
421.1572
XLogP
3.55
TPSA
97.39
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
120.84
Supplementary Information
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