Name: 4-(4-dimethylcarbamoyl-phenoxy)-2-hydroxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester
SMILES:
CN(C)C(=O)c1ccc(Oc2cc(C(=O)OC(C)(C)C)cc3c2CC(CO)O3)cc1Molecular Processing
Molecular formula
C23H27NO6
Molecular weight
413.47
Exact mass
413.1838
XLogP
3.43
TPSA
85.3
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
111.35
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→