2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
Basic information
- CAS
874965-91-0- Standard SMILES
O=C(Cn1nnc(-c2ccccc2)n1)NCC(=O)Nc1ccc(F)c(F)c1F- InChIKey
ULJOCLJPLCEFMW-UHFFFAOYSA-N- Molecular formula
- C17H13F3N6O2
- Average molar mass
- 390.32 g/mol
- Monoisotopic mass
- 390.10520816
Names & identifiers
- Preferred name
- 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
- IUPAC
- 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
Names & synonyms
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamideMLS002170426CHEMBL1869833DTXSID101328846HMS3072I03AKOS001217615874965-91-0SMR001250743Z16422902N~2~-[(5-Phenyl-2H-tetrazol-2-yl)acetyl]-N-(2,3,4-trifluorophenyl)glycinamide
Database identifiers
- CAS
874965-91-0- PubChem CID
- 7634191
- DTXSID
DTXSID101328846- ChEMBL
CHEMBL1869833
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
Solubility4.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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