Basic information
- Standard SMILES
Cc1c(N[C@@H](c2nnc(-c3ccc(Br)cc3)o2)[C@H](C)O[Si](C)(C)C(C)(C)C)ccc(C#N)c1Cl- InChIKey
JMFSJIUISWCAPO-KSFYIVLOSA-N- Molecular formula
- C25H30BrClN4O2Si
- Average molar mass
- 562 g/mol
Names & identifiers
- Preferred name
- 4-((1R,2S)-1-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-2-(tert-butyldimethylsilyloxy)propylamino)-2-chloro-3-methylbenzonitrile
- IUPAC
- 4-[[(1R,2S)-1-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-2-chloro-3-methylbenzonitrile
Names & synonyms
SCHEMBL1363919JMFSJIUISWCAPO-KSFYIVLOSA-N4-((1R,2S)-1-(5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)-2-(tert-butyl dimethyl silyloxy)propylamino)-2-chloro-3-methylbenzonitrile4-((1R,2S)-1-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-2-(tert-butyldimethylsilyloxy)propylamino)-2-chloro-3-methylbenzonitrile
Database identifiers
- PubChem CID
- 67006261
Properties
Computed structural properties
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 721
Related reactions
8 records
Compound notes
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