Name: 2-[1-[(5-chlorothien-2-yl)methoxyimino]ethyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-cyclohex-2-en-1-one
SMILES:
CC(=NOCc1ccc(Cl)s1)C1=C(O)CC(C2CCCSC2)CC1=OMolecular Processing
Molecular formula
C18H22ClNO3S2
Molecular weight
399.97
Exact mass
399.073
XLogP
5.23
TPSA
58.89
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
104.66
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→