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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(I)cc21- InChIKey
VUVALAJRANHWTN-PCCBWWKXSA-N- Molecular formula
- C24H29F2IN2O4
- Average molar mass
- 574.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl (1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-iodo-3,4-dihydro-2H-chromen-4-yl]amino}propylcarbamate
- IUPAC
- tert-butyl N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(4S)-6-iodo-3,4-dihydro-2H-chromen-4-yl]amino]butan-2-yl]carbamate
Names & synonyms
SCHEMBL13804514VUVALAJRANHWTN-PCCBWWKXSA-Ntert-butyl (1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-iodo-3,4-dihydro-2H-chromen-4-yl]amino}propylcarbamate
Database identifiers
- PubChem CID
- 57718592
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 628
Related reactions
3 records
Compound notes
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