Name: [(1-cyano-4-methoxy-8-phenoxy-isoquinoline-3-carbonyl)-amino]-acetic acid methyl ester
SMILES:
COC(=O)CNC(=O)c1nc(C#N)c2c(Oc3ccccc3)cccc2c1OCMolecular Processing
Molecular formula
C21H17N3O5
Molecular weight
391.38
Exact mass
391.1168
XLogP
2.81
TPSA
110.54
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
103.88
Supplementary Information
Details werden geladen…
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