Name: 4-(4-cyano-1,2,3,6-tetrahydropyridin-1-yl)-1-(2,4-dichlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridine
SMILES:
Cc1cc(N2CC=C(C#N)CC2)c2c(C)c(C)n(-c3ccc(Cl)cc3Cl)c2n1Molecular Processing
Molecular formula
C22H20Cl2N4
Molecular weight
411.34
Exact mass
410.1065
XLogP
5.92
TPSA
44.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
115.83
Supplementary Information
Details werden geladen…
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