(4aS,13aR)-8-bromo-10-[(phenylmethyl)oxy]-2,3,4a,5,13,13a-hexahydro-1H-pyrido[1,2-a]pyrrolo[1',2':3,4]imidazo[1,2-d]pyrazine-9,11-dione
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C1c2c(OCc3ccccc3)c(=O)c(Br)cn2C[C@@H]2N1C[C@H]1CCCN12- InChIKey
YSPZJEZKZYYLCX-ZBFHGGJFSA-N- Molecular formula
- C20H20BrN3O3
- Average molar mass
- 430.3 g/mol
Names & identifiers
- Preferred name
- (4aS,13aR)-8-bromo-10-[(phenylmethyl)oxy]-2,3,4a,5,13,13a-hexahydro-1H-pyrido[1,2-a]pyrrolo[1',2':3,4]imidazo[1,2-d]pyrazine-9,11-dione
- IUPAC
- (10S,15R)-6-bromo-4-phenylmethoxy-1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,6-diene-2,5-dione
Names & synonyms
SCHEMBL1358637YSPZJEZKZYYLCX-ZBFHGGJFSA-N(4aS,13aR)-8-bromo-10-[(phenylmethyl)oxy]-2,3,4a,5,13,13a-hexahydro-1H-pyrido[1,2-a]pyrrolo[1',2':3,4]imidazo[1,2-d]pyrazine-9,11-dione
Database identifiers
- PubChem CID
- 46239162
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 728
Related reactions
8 records
Compound notes
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