Nombre: 5-(5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
SMILES:
O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21Molecular Processing
Molecular formula
C23H18F3N5O2
Molecular weight
453.42
Exact mass
453.1413
XLogP
4.97
TPSA
81.07
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
115.32
Supplementary Information
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