CCOCCc1cc2cnc(SC)nc2n(C2CCCC2)c1=O
SMILES: CCOCCc1cc2cnc(SC)nc2n(C2CCCC2)c1=O

Molecular Processing

Molecular formula
C17H23N3O2S
Molecular weight
333.46
Exact mass
333.1511
XLogP
3.21
TPSA
57.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
93.28

Supplementary Information

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