Basic information
- Standard SMILES
O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(n2nnc3ccccc32)CC1- InChIKey
SXEMWOXPKIQLTO-UHFFFAOYSA-N- Molecular formula
- C24H20F3N5O3
- Average molar mass
- 483.4 g/mol
Names & identifiers
- Preferred name
- 4-Benzotriazol-1-yl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester
- IUPAC
- [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(benzotriazol-1-yl)piperidine-1-carboxylate
Names & synonyms
4-Benzotriazol-1-yl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl EsterSCHEMBL5652370
Database identifiers
- PubChem CID
- 69520407
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 713
Related reactions
3 records
Compound notes
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