Name: 2-[1-(tert-Butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinolin-4-ylamino]thiazole-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1csc(Nc2cnc(CNC(=O)OC(C)(C)C)c3c(OC)cc(OC)cc23)n1Molecular Processing
Molecular formula
C23H28N4O6S
Molecular weight
488.57
Exact mass
488.173
XLogP
4.65
TPSA
120.9
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
129.27
Supplementary Information
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Involved in 3 reactions→