Basic information
- Standard SMILES
Cc1cc(-n2c(C[C@@H]3CCN(C(=O)C4CC4)C3)n[nH]c2=O)c(F)cc1Br- InChIKey
VKAXRJOIMZSHBN-NSHDSACASA-N- Molecular formula
- C18H20BrFN4O2
- Average molar mass
- 423.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-bromo-2-fluoro-5-methylphenyl)-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-(4-bromo-2-fluoro-5-methylphenyl)-3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
Names & synonyms
SCHEMBL14151707VKAXRJOIMZSHBN-NSHDSACASA-N4-(4-bromo-2-fluoro-5-methylphenyl)-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 71087290
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 626
Related reactions
2 records
Compound notes
Loading…