(R)-4,6-Dimethyl-3,4-dihydro-1H-2,4a,5-triaza-fluorene-2-carboxylic Acid Tert-butyl Ester

HCID 69357516
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc2cc3n(c2n1)[C@H](C)CN(C(=O)OC(C)(C)C)C3
InChIKey
MKKFKQPBJLRZKF-GFCCVEGCSA-N
Molecular formula
C17H23N3O2
Average molar mass
301.4 g/mol

Names & identifiers

Preferred name
(R)-4,6-Dimethyl-3,4-dihydro-1H-2,4a,5-triaza-fluorene-2-carboxylic Acid Tert-butyl Ester
IUPAC
tert-butyl (13R)-4,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-11-carboxylate

Names & synonyms

SCHEMBL5219033MKKFKQPBJLRZKF-GFCCVEGCSA-N(R)-4,6-Dimethyl-3,4-dihydro-1H-2,4a,5-triaza-fluorene-2-carboxylic Acid Tert-butyl Ester

Database identifiers

PubChem CID
69357516

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
47.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

Loading…