3-(4-cyanophenoxy)-5-[(1S)-2-methoxy-(1-methylethyl)oxy]-N-(1-methyl-1H-pyrazol-3-yl)benzamide

HCID 11654366
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Basic information

Standard SMILES
COC[C@H](C)Oc1cc(Oc2ccc(C#N)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIKey
VCWRVIINXRSQFD-HNNXBMFYSA-N
Molecular formula
C22H22N4O4
Average molar mass
406.4 g/mol
Monoisotopic mass
406.1641052

Names & identifiers

Preferred name
3-(4-cyanophenoxy)-5-[(1S)-2-methoxy-(1-methylethyl)oxy]-N-(1-methyl-1H-pyrazol-3-yl)benzamide
IUPAC
3-(4-cyanophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide

Names & synonyms

SCHEMBL1146457VCWRVIINXRSQFD-HNNXBMFYSA-N3-(4-cyanophenoxy)-5-[(1S)-2-methoxy-(1-methylethyl)oxy]-N-(1-methyl-1H-pyrazol-3-yl)benzamide

Database identifiers

PubChem CID
11654366

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
98.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
30

Related reactions

2 records
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Compound notes

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