Basic information
- Standard SMILES
O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1- InChIKey
NIUQRZPHRWJIFW-UHFFFAOYSA-N- Molecular formula
- C21H17F6N5O2
- Average molar mass
- 485.4 g/mol
- Monoisotopic mass
- 485.12864377
Names & identifiers
- Preferred name
- (3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl)(4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)methanone
- IUPAC
- [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
Names & synonyms
(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl)(4-(5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-1-yl)methanoneSCHEMBL2225959
Database identifiers
- PubChem CID
- 53259017
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 708
Related reactions
1 records
Compound notes
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