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Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCn4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1- InChIKey
BJTOGLTUTBDRAV-UHFFFAOYSA-N- Molecular formula
- C38H47N5O5
- Average molar mass
- 653.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-methyl-2-(4-((4-oxo-8-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl)phenoxy)propanoate
- IUPAC
- tert-butyl 2-methyl-2-[4-[[4-oxo-8-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]phenoxy]propanoate
Names & synonyms
SCHEMBL318971BJTOGLTUTBDRAV-UHFFFAOYSA-Ntert-butyl 2-methyl-2-(4-((4-oxo-8-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl)phenoxy)propanoate
Database identifiers
- PubChem CID
- 58046641
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
4 records
Compound notes
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