Basic information
- Standard SMILES
O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1C(=O)O)CN2c1ccccc1)c1ccccc1- InChIKey
BGAWXHVXAHHBQE-UHFFFAOYSA-N- Molecular formula
- C31H33N3O4
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- 2-((4-Oxo-8-(4-oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl)benzoic acid
- IUPAC
- 2-[[4-oxo-8-(4-oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoic acid
Names & synonyms
SCHEMBL318958BGAWXHVXAHHBQE-UHFFFAOYSA-N2-((4-oxo-8-(4-oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl)benzoic acid
Database identifiers
- PubChem CID
- 54771985
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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