[3-(4-Chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid
Basic information
- Standard SMILES
O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O- InChIKey
PODYHBRMWYDGKN-UHFFFAOYSA-N- Molecular formula
- C13H11ClF3N3O3
- Average molar mass
- 349.69 g/mol
Names & identifiers
- Preferred name
- [3-(4-Chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid
- IUPAC
- 2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]acetic acid
Names & synonyms
[3-(4-Chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acidSCHEMBL413351
Database identifiers
- PubChem CID
- 59536724
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Related reactions
7 records
Compound notes
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