Basic information
- Standard SMILES
COCCCc1ccc2c(n1)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1C- InChIKey
NPACJPCFIANXLN-RHSMWYFYSA-N- Molecular formula
- C20H31N3O3
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.23654186
Names & identifiers
- Preferred name
- (4R,9aR)-6-(3-Methoxy-propyl)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (9R,13R)-4-(3-methoxypropyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate
Names & synonyms
SCHEMBL5762581NPACJPCFIANXLN-RHSMWYFYSA-N(4R,9aR)-6-(3-Methoxy-propyl)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69557464
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Related reactions
1 records
Compound notes
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