Nombre: [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol
SMILES:
CCC1CC2(CC(N1S(=O)(=O)C3=CC=C(C=C3)Cl)CO)OCCO2Molecular Processing
Molecular formula
C16H22ClNO5S
Molecular weight
375.87
Exact mass
375.0907
XLogP
2.01
TPSA
76.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
89.3
Supplementary Information
InChIKey: QFAGFYARAWUKEB-UHFFFAOYSA-N
Sinónimos
SCHEMBL3066152QFAGFYARAWUKEB-UHFFFAOYSA-N(8-(4-chlorophenylsulfonyl)-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl)methanol
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