Basic information
- Standard SMILES
COC(=O)CC(c1ccc(Br)cc1)N1CCC2(CC1)CN(C1CC1)C(=O)CO2- InChIKey
ZZGRQXBAFVIPPK-UHFFFAOYSA-N- Molecular formula
- C21H27BrN2O4
- Average molar mass
- 451.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-bromophenyl)-3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propanoate
- IUPAC
- methyl 3-(4-bromophenyl)-3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propanoate
Names & synonyms
SCHEMBL14720346ZZGRQXBAFVIPPK-UHFFFAOYSA-Nmethyl 3-(4-bromophenyl)-3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propanoate
Database identifiers
- PubChem CID
- 71270889
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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