C1CN(CCC2=CC=CC=C21)C3=C(C(=NC(=N3)OCCCOC4=CC=CC=C4)OCC(F)(F)F)C#N
الاسم: 2-(3-phenoxypropoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
SMILES: C1CN(CCC2=CC=CC=C21)C3=C(C(=NC(=N3)OCCCOC4=CC=CC=C4)OCC(F)(F)F)C#N

Molecular Processing

Molecular formula
C26H25F3N4O3
Molecular weight
498.51
Exact mass
498.1879
XLogP
4.74
TPSA
80.5
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
126.41

Supplementary Information

InChIKey: GSLUZGWRMCNRRZ-UHFFFAOYSA-N
مرادفات
SCHEMBL6953043GSLUZGWRMCNRRZ-UHFFFAOYSA-N2-(3-phenoxypropoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
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