Name: 4-(2-cyclopropylmethoxy-4-fluoro-5-methoxy-phenyl)-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1c(C)[nH]c2c(-c3cc(OC)c(F)cc3OCC3CC3)ncnc12Molecular Processing
Molecular formula
C21H22FN3O4
Molecular weight
399.42
Exact mass
399.1594
XLogP
4.05
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
104.75
Supplementary Information
Details werden geladen…
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