SMILES:
CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1Molecular Processing
Molecular formula
C27H29N3O3
Molecular weight
443.55
Exact mass
443.2209
XLogP
6.65
TPSA
76.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
128.44
Supplementary Information
Details werden geladen…
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