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Basic information
- Standard SMILES
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(=O)onc(C)c2c1)C(F)(F)F- InChIKey
ZVCDNODZUJDLPU-UHFFFAOYSA-N- Molecular formula
- C23H24F4N2O4
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.1672199
Names & identifiers
- Preferred name
- 6-[2-Hydroxy-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-trifluoromethyl-pentylamino]-4-methyl-2,3-benzoxazin-1-one
- IUPAC
- 6-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-4-methyl-2,3-benzoxazin-1-one
Names & synonyms
CHEMBL12572216-[2-Hydroxy-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-trifluoromethyl-pentylamino]-4-methyl-2,3-benzoxazin-1-oneSCHEMBL6554297BDBM50416870
Database identifiers
- PubChem CID
- 15463551
- ChEMBL
CHEMBL1257221
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 744
Related reactions
2 records
Compound notes
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