Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2Cc3cc(CO)c(C(F)F)nc3N21- InChIKey
PRCSAQYINZPSDJ-ZWNOBZJWSA-N- Molecular formula
- C18H25F2N3O3
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- (4R,9aR)-6-difluoromethyl-7-hydroxymethyl-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-(difluoromethyl)-5-(hydroxymethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene-11-carboxylate
Names & synonyms
(4R,9aR)-6-difluoromethyl-7-hydroxymethyl-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl esterSCHEMBL5223698
Database identifiers
- PubChem CID
- 69360356
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Related reactions
5 records
Compound notes
Loading…