Basic information
- Standard SMILES
Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n(Cc2cc(F)ccc2Br)c1=O- InChIKey
SXFFBGRIRFSWTP-MRXNPFEDSA-N- Molecular formula
- C21H27BrFN5O3
- Average molar mass
- 496.4 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 1-(4-(2-bromo-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R)-1-[4-[(2-bromo-5-fluorophenyl)methyl]-6-methyl-5-oxo-1,2,4-triazin-3-yl]piperidin-3-yl]carbamate
Names & synonyms
SCHEMBL2024583SXFFBGRIRFSWTP-MRXNPFEDSA-N(R)-tert-butyl 1-(4-(2-bromo-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 58328539
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 754
Related reactions
6 records
Compound notes
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