(S)-4-[2-(3-Fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-2-methoxycarbonylmethyl-piperazine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
COC(=O)C[C@H]1CN(C(=O)c2c(Cc3cccc(F)c3C)c(-c3ccccc3)c3ccccn23)CCN1C(=O)OC(C)(C)C- InChIKey
DZBJZOYUSDOTBW-SANMLTNESA-N- Molecular formula
- C35H38FN3O5
- Average molar mass
- 599.7 g/mol
Names & identifiers
- Preferred name
- (S)-4-[2-(3-Fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-2-methoxycarbonylmethyl-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-4-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenylindolizine-3-carbonyl]-2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL9099978DZBJZOYUSDOTBW-SANMLTNESA-N(S)-4-[2-(3-Fluoro-2-methyl-benzyl)-1-phenyl-indolizine-3-carbonyl]-2-methoxycarbonylmethyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67772153
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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