Nombre: 2,2-dimethyl-1-ethinyl-7-methoxy-3-(N-methyl-p-toluenesulphonamido)-1,2,3,4-tetrahydro-1-naphthol
SMILES:
C#CC1(O)c2cc(OC)ccc2CC(N(C)S(=O)(=O)c2ccc(C)cc2)C1(C)CMolecular Processing
Molecular formula
C23H27NO4S
Molecular weight
413.54
Exact mass
413.1661
XLogP
3.1
TPSA
66.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
113.12
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→