COc1cc(C(F)(F)F)cc(SC)c1C(=O)NC1COCCC1=O
Name: 2-Methoxy-6-methylsulfanyl-N-(4-oxo-tetrahydro-pyran-3-yl)-4-trifluoromethyl-benzamide
SMILES: COc1cc(C(F)(F)F)cc(SC)c1C(=O)NC1COCCC1=O

Molecular Processing

Molecular formula
C15H16F3NO4S
Molecular weight
363.36
Exact mass
363.0752
XLogP
2.52
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
81.47

Supplementary Information

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