Name: [6,8-dimethoxy-4-(4-methyl-thiazol-2-ylamino)-isoquinolin-1-ylmethyl]carbamic acid tert-butyl ester
SMILES:
COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(Nc3nc(C)cs3)c2c1Molecular Processing
Molecular formula
C21H26N4O4S
Molecular weight
430.53
Exact mass
430.1675
XLogP
4.79
TPSA
94.6
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
118.05
Supplementary Information
Details werden geladen…
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