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
- Formal charge
- 0
- Complexity
- 714
Related reactions
8 records
Compound notes
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