Name: ethyl 4-[2-ethoxy-5-(trifluoromethyl)phenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
SMILES:
CCOC(=O)c1c(C)[nH]c2c(-c3cc(C(F)(F)F)ccc3OCC)ncnc12Molecular Processing
Molecular formula
C19H18F3N3O3
Molecular weight
393.37
Exact mass
393.13
XLogP
4.53
TPSA
77.1
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
96.19
Supplementary Information
Details werden geladen…
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