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Basic information
- Standard SMILES
Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCCOCC1- InChIKey
MZWSXBROGWTATM-UHFFFAOYSA-N- Molecular formula
- C25H27F3N4O3
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.20352522
Names & identifiers
- Preferred name
- N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-[1,4]oxazepan-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
- IUPAC
- N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
Names & synonyms
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-[1,4]oxazepan-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamideSCHEMBL1167302
Database identifiers
- PubChem CID
- 11670336
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 683
Related reactions
3 records
Compound notes
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