Nombre: 2-[6,7-dimethoxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]isoquinolin-4-yl]acetic acid

SMILES: CC(C)(C)OC(=O)NCC1=NC=C(C2=CC(=C(C=C21)OC)OC)CC(=O)O

Molecular Processing

Molecular formula

C19H24N2O6

Molecular weight

376.41

Exact mass

376.1634

XLogP

2.9

TPSA

106.98

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.421

Molar refractivity

99.26

Supplementary Information

InChIKey: OZUCOBQHZMKTIN-UHFFFAOYSA-N

Sinónimos

SCHEMBL3361880OZUCOBQHZMKTIN-UHFFFAOYSA-N[1-(tert-butoxycarbonylamino-methyl)-6,7-dimethoxy-isoquinolin-4-yl]-acetic acid