Nombre: (S)-hydroxy-6-methyl-3-oxo-5-(2-thiophen-3-yl-ethyl)-heptanoic acid ethyl ester
SMILES:
CCOC(=O)[C@@H](O)C(=O)CC(CCc1ccsc1)C(C)CMolecular Processing
Molecular formula
C16H24O4S
Molecular weight
312.43
Exact mass
312.1395
XLogP
2.84
TPSA
63.6
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
83.23
Supplementary Information
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