4-(2-Fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl pivalate

HCID 11613492
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Basic information

Standard SMILES
Cc1c(OC(=O)C(C)(C)C)cn2ncnc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c12
InChIKey
NQZDTLQUKVQDAY-UHFFFAOYSA-N
Molecular formula
C27H26FN5O4S
Average molar mass
535.6 g/mol
Monoisotopic mass
535.16895366

Names & identifiers

Preferred name
4-(2-Fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl pivalate
IUPAC
[4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl] 2,2-dimethylpropanoate

Names & synonyms

SCHEMBL4820731NQZDTLQUKVQDAY-UHFFFAOYSA-N4-(2-Fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl pivalate

Database identifiers

PubChem CID
11613492

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
139 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

Related reactions

4 records
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Compound notes

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