名称: methyl 4-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-4-oxobutanoate
SMILES:
COC1=C(C=C2C(=C1)CC3=C2N(N=C3NC4=CC(=CC=C4)F)C(=O)CCC(=O)OC)OCMolecular Processing
Molecular formula
C23H22FN3O5
Molecular weight
439.44
Exact mass
439.1543
XLogP
3.95
TPSA
91.68
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
115.13
Supplementary Information
InChIKey: BACRJAXBZBBUQW-UHFFFAOYSA-N
同義語
SCHEMBL3088737BACRJAXBZBBUQW-UHFFFAOYSA-N4-[3-(3-Fluoro-phenylamino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-1-yl]-4-oxo-butyric acid methyl ester
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