SMILES:
CN(C)c1ncc(-c2ccc3nnc(CNC(=O)OC(C)(C)C)n3n2)s1Molecular Processing
Molecular formula
C16H21N7O2S
Molecular weight
375.46
Exact mass
375.1477
XLogP
2.34
TPSA
97.54
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
99.29
Supplementary Information
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