Basic information
- Standard SMILES
COc1cc2c3c(c1OC)C(=O)CC3N(CCCCNC(=O)OC(C)(C)C)CC2- InChIKey
FALOTNSWRPFTCG-UHFFFAOYSA-N- Molecular formula
- C22H32N2O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.23112213
Names & identifiers
- Preferred name
- [4-(7,8-Dimethoxy-1-oxo-2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylen-3-yl)-butyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-(10,11-dimethoxy-2-oxo-5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)butyl]carbamate
Names & synonyms
SCHEMBL2311770FALOTNSWRPFTCG-UHFFFAOYSA-N[4-(7,8-Dimethoxy-1-oxo-2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylen-3-yl)-butyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57729072
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Related reactions
4 records
Linked notes
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