1-(3-Fluoro-4-(6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yloxy)phenyl)-3-(2-(4-fluorophenyl)acetyl)thiourea

HCID 11627186

Basic information

Standard SMILES
COc1cn2ncnc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(F)cc4)cc3F)c2c1C
InChIKey
BTVDEPMCNZWNMW-UHFFFAOYSA-N
Molecular formula
C23H19F2N5O3S
Average molar mass
483.5 g/mol
Monoisotopic mass
483.11766698

Names & identifiers

Preferred name
1-(3-Fluoro-4-(6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yloxy)phenyl)-3-(2-(4-fluorophenyl)acetyl)thiourea
IUPAC
N-[[3-fluoro-4-(6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide

Names & synonyms

SCHEMBL4821134BTVDEPMCNZWNMW-UHFFFAOYSA-N1-(3-Fluoro-4-(6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yloxy)phenyl)-3-(2-(4-fluorophenyl)acetyl)thiourea

Database identifiers

PubChem CID
11627186

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
122 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
34

Related reactions

8 records

Compound notes

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