Basic information
- Standard SMILES
C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1n1cc(-c2ccsc2)nn1- InChIKey
XTRJLCSCLOXFPZ-PLUQSWFTSA-N- Molecular formula
- C34H33F3N8O3S
- Average molar mass
- 690.7 g/mol
- Monoisotopic mass
- 690.2348426
Names & identifiers
- Preferred name
- tert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R,4S,5S)-1-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methyl-4-(4-thiophen-3-yltriazol-1-yl)piperidin-3-yl]carbamate
Names & synonyms
SCHEMBL15588820XTRJLCSCLOXFPZ-PLUQSWFTSA-Ntert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 86705272
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
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