Basic information
- Standard SMILES
Cc1cc([C@H](C)NC(=O)OC(C)(C)C)ncc1-c1ccnc(C(F)(F)F)c1- InChIKey
VIMJUHHRJYWTRD-LBPRGKRZSA-N- Molecular formula
- C19H22F3N3O2
- Average molar mass
- 381.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl (S)-(1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)carbamate
- IUPAC
- tert-butyl N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]carbamate
Names & synonyms
tert-butyl (S)-(1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)carbamate1628106-79-5(S)-tert-butyl(1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)carbamateSCHEMBL16088910tert-butyl N-[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]carbamate(S)-tert-butyl (1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)carbamate
Database identifiers
- PubChem CID
- 90451687
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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