COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OC(C)C)n2)c1
SMILES: COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OC(C)C)n2)c1

Molecular Processing

Molecular formula
C19H22N4O4
Molecular weight
370.41
Exact mass
370.1641
XLogP
2.52
TPSA
119.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
101.01

Supplementary Information

Details werden geladen…

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