Basic information
- Standard SMILES
C[C@@H](COc1cc(Cl)c(NC(=O)c2ccc(OCc3ccccc3)c(F)c2)cn1)NC(=O)OC(C)(C)C- InChIKey
IUSUVEUREJHZHS-KRWDZBQOSA-N- Molecular formula
- C27H29ClFN3O5
- Average molar mass
- 530 g/mol
Names & identifiers
- Preferred name
- tert-butyl ((2S)-1-((5-((4-(benzyloxy)-3-fluorobenzoyl)amino)-4-chloropyridin-2-yl)oxy)propan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S)-1-[[4-chloro-5-[(3-fluoro-4-phenylmethoxybenzoyl)amino]-2-pyridinyl]oxy]propan-2-yl]carbamate
Names & synonyms
IUSUVEUREJHZHS-KRWDZBQOSA-Ntert-butyl ((2S)-1-((5-((4-(benzyloxy)-3-fluorobenzoyl)amino)-4-chloropyridin-2-yl)oxy)propan-2-yl)carbamate
Database identifiers
- PubChem CID
- 86731270
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 733
Related reactions
2 records
Compound notes
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