名称: tert-butyl N-[(4-amino-6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
SMILES:
CC(C)(C)OC(=O)NCC1=NC=C(C2=CC(=C(C=C21)OC)OC)NMolecular Processing
Molecular formula
C17H23N3O4
Molecular weight
333.39
Exact mass
333.1689
XLogP
2.86
TPSA
95.7
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
92.33
Supplementary Information
InChIKey: AQSRRZQLEMGWAZ-UHFFFAOYSA-N
同義語
SCHEMBL3363973AQSRRZQLEMGWAZ-UHFFFAOYSA-N(4-Amino-6,7-dimethoxy-isoquinolin-1-ylmethyl)-carbamic acid tert-butyl ester(4-Amino-6,7-dimethoxy-isoquinolin-1-ylmethyl)carbamic acid tert-butyl ester
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