1-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-5-yl)urea
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Basic information
- Standard SMILES
O=C1COc2cccc(NC(=O)NCc3ccc(C(F)(F)F)cc3N3CCCCC3)c2N1- InChIKey
QGMWMIIBPPTWAS-UHFFFAOYSA-N- Molecular formula
- C22H23F3N4O3
- Average molar mass
- 448.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-5-yl)urea
- IUPAC
- 1-(3-oxo-4H-1,4-benzoxazin-5-yl)-3-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
Names & synonyms
1-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-5-yl)ureaSCHEMBL2482258
Database identifiers
- PubChem CID
- 53476468
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
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Related reactions
1 records
Compound notes
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