SMILES:
CCCC(C(=O)OC)c1c(C)nc2sc3c(c2c1C(C)(C)C)CCC3Molecular Processing
Molecular formula
C21H29NO2S
Molecular weight
359.54
Exact mass
359.1919
XLogP
5.45
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
104.75
Supplementary Information
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