1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
Basic information
- Standard SMILES
CN(C)c1cc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1OCC(=O)N2- InChIKey
NEPJFAHBBJEELA-UHFFFAOYSA-N- Molecular formula
- C19H19F3N4O3
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.14092497
Names & identifiers
- Preferred name
- 1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
- IUPAC
- 1-[[2-(dimethylamino)-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
Names & synonyms
1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)ureaSCHEMBL2483924CHEMBL5973765BDBM369796US10233177, Example 46PMID25666693-Compound-122
Database identifiers
- PubChem CID
- 53476470
- ChEMBL
CHEMBL5973765
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Related reactions
1 records
Compound notes
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