SMILES:
CC1CCC(C(=O)N(N)c2cc(C#CC(C)(C)C)sc2C(=O)O)CC1Molecular Processing
Molecular formula
C19H26N2O3S
Molecular weight
362.5
Exact mass
362.1664
XLogP
3.88
TPSA
83.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
100.41
Supplementary Information
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