Basic information
- Standard SMILES
COCCCn1cc(CN(C(=O)OC(C)(C)C)C2CC2)c2c(Br)cccc21- InChIKey
HEGYVYYWFIQIJH-UHFFFAOYSA-N- Molecular formula
- C21H29BrN2O3
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 436.13616
Names & identifiers
- Preferred name
- tert-butyl {[4-bromo-1-(3-methoxypropyl)-1H-indol-3-yl]methyl}cyclopropylcarbamate
- IUPAC
- tert-butyl N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]-N-cyclopropylcarbamate
Names & synonyms
HEGYVYYWFIQIJH-UHFFFAOYSA-Ntert-butyl {[4-bromo-1-(3-methoxypropyl)-1H-indol-3-yl]methy}cyclopropylcarbamatetert-butyl {[4-bromo-1-(3-methoxypropyl)-1H-indol-3-yl]methyl}cyclopropylcarbamate
Database identifiers
- PubChem CID
- 86645632
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
3 records
Compound notes
Loading…