[4-(7,8-Dimethoxy-1-oxo-2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylen-3-yl)-butyl]-carbamic acid tert-butyl ester

HCID 57729072

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

Related reactions

4 records

Linked notes

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