(6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(3-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Basic information
- CAS
956211-00-0- Standard SMILES
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21- InChIKey
ACUCFVXPLDGQHU-YCAMKHIRSA-N- Molecular formula
- C27H19ClFN3O3
- Average molar mass
- 487.9 g/mol
- Monoisotopic mass
- 487.1098973
Names & identifiers
- Preferred name
- (6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(3-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
- IUPAC
- (10R,11S,15R,16S)-N-(4-chlorophenyl)-13-(3-fluorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
Names & synonyms
(6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(3-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamideDTXSID801100198STK612925AKOS005547749956211-00-0(6aR,6bS,9aR,10S)-N-(4-Chlorophenyl)-8-(3-fluorophenyl)-6a,6b,8,9,9a,10-hexahydro-7,9-dioxo-7H-pyrrolo[3a(2),4a(2):3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Database identifiers
- CAS
956211-00-0- PubChem CID
- 6583403
- DTXSID
DTXSID801100198
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 906
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…