Basic information
- Standard SMILES
COC(=O)c1ccc(N2CC3(CCN(Cc4ccc(Cl)c(Br)c4)CC3)OC2=O)cc1- InChIKey
ZCIVKLJUGAUNCW-UHFFFAOYSA-N- Molecular formula
- C22H22BrClN2O4
- Average molar mass
- 493.8 g/mol
- Monoisotopic mass
- 492.04515
Names & identifiers
- Preferred name
- Methyl 4-[8-(3-bromo-4-chlorobenzyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl]benzoate
- IUPAC
- methyl 4-[8-[(3-bromo-4-chlorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoate
Names & synonyms
SCHEMBL670193ZCIVKLJUGAUNCW-UHFFFAOYSA-Nmethyl 4-[8-(3-bromo-4-chlorobenzyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl]benzoate
Database identifiers
- PubChem CID
- 66764787
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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