4-[1-[1-[2-Chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-yl-4,5-dihydrotriazol-4-yl]ethyl]morpholine
Basic information
- CAS
4745-25-9- Standard SMILES
CC(C1N=NN(c2cc(C(F)(F)F)ccc2Cl)C1N1CCOCC1)N1CCOCC1- InChIKey
LBSYJGPBXCAIDL-UHFFFAOYSA-N- Molecular formula
- C19H25ClF3N5O2
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.1648872
Names & identifiers
- Preferred name
- 4-[1-[1-[2-Chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-yl-4,5-dihydrotriazol-4-yl]ethyl]morpholine
- IUPAC
- 4-[1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-yl-4,5-dihydrotriazol-4-yl]ethyl]morpholine
Names & synonyms
4745-25-94-[1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-yl-4,5-dihydrotriazol-4-yl]ethyl]morpholineDTXSID603844194-(1-{1-[2-Chloro-5-(trifluoromethyl)phenyl]-5-(morpholin-4-yl)-4,5-dihydro-1H-1,2,3-triazol-4-yl}ethyl)morpholine
Database identifiers
- CAS
4745-25-9- PubChem CID
- 2804231
- DTXSID
DTXSID60384419
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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