Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncc(N2C(=O)c3ccccc3C2=O)cc1Br- InChIKey
VXMMMTRFFUTAHH-NRFANRHFSA-N- Molecular formula
- C26H22BrF2N3O4
- Average molar mass
- 558.4 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 1-(3-bromo-5-(1,3-dioxoisoindolin-2-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethylcarbamate
- IUPAC
- tert-butyl N-[(1S)-1-[3-bromo-5-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamate
Names & synonyms
SCHEMBL15875361VXMMMTRFFUTAHH-NRFANRHFSA-N(S)-tert-butyl 1-(3-bromo-5-(1,3-dioxoisoindolin-2-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethylcarbamate
Database identifiers
- PubChem CID
- 90281392
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 806
Related reactions
3 records
Compound notes
Loading…