Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1c(NC(=O)OCc2ccccc2)cccc1C(c1c[nH]c2cc(Br)ccc12)C(C)[N+](=O)[O-]- InChIKey
YPZFPIBTKBSPKG-UHFFFAOYSA-N- Molecular formula
- C26H24BrN3O4
- Average molar mass
- 522.4 g/mol
- Monoisotopic mass
- 521.09502
Names & identifiers
- Preferred name
- benzyl (3-(1-(6-bromo-1H-indol-3-yl)-2-nitropropyl)-2-methylphenyl)carbamate
- IUPAC
- benzyl N-[3-[1-(6-bromo-1H-indol-3-yl)-2-nitropropyl]-2-methylphenyl]carbamate
Names & synonyms
SCHEMBL12072680YPZFPIBTKBSPKG-UHFFFAOYSA-Nbenzyl (3-(1-(6-bromo-1H-indol-3-yl)-2-nitropropyl)-2-methylphenyl)carbamate
Database identifiers
- PubChem CID
- 70651981
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
Loading…