SMILES:
CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=S)c1ccccc1-2Molecular Processing
Molecular formula
C17H17N3O2S
Molecular weight
327.41
Exact mass
327.1041
XLogP
2.88
TPSA
47.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
89.9
Supplementary Information
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