CC(C)(C)OC(=O)NCC1=NC=C(C2=C1C(=CC(=C2)OC)OC)C(=O)O
Nom: 6,8-dimethoxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]isoquinoline-4-carboxylic acid
SMILES: CC(C)(C)OC(=O)NCC1=NC=C(C2=C1C(=CC(=C2)OC)OC)C(=O)O

Molecular Processing

Molecular formula
C18H22N2O6
Molecular weight
362.38
Exact mass
362.1478
XLogP
2.97
TPSA
106.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
94.88

Supplementary Information

InChIKey: KAVKKIGBFJLFOP-UHFFFAOYSA-N
Synonymes
SCHEMBL3363099KAVKKIGBFJLFOP-UHFFFAOYSA-N1-(tert-butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinoline-4-carboxylic acid
Voir la source →
Impliqué dans 20 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→