SMILES:
CC(C)(C)OC(=O)N1CC2CC1CN2c1cc2ncccc2s1Molecular Processing
Molecular formula
C17H21N3O2S
Molecular weight
331.44
Exact mass
331.1354
XLogP
3.49
TPSA
45.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
92.1
Supplementary Information
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