Name: 2-[1-[(5-chlorothien-2-yl)methoxyimino]ethyl]-5-(tetrahydro-2H-thiopyran-3-yl)-cyclohexane-1,3-dione
SMILES:
CC(=NOCc1ccc(Cl)s1)C1C(=O)CC(C2CCCSC2)CC1=OMolecular Processing
Molecular formula
C18H22ClNO3S2
Molecular weight
399.97
Exact mass
399.073
XLogP
4.6
TPSA
55.73
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
103.5
Supplementary Information
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