Basic information
- Standard SMILES
CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCC(=O)Cc2ccc(F)cc2)c(OCc2ccccc2)c1=O- InChIKey
RJYFMZFWFOXVCQ-UHFFFAOYSA-N- Molecular formula
- C32H34FN5O6
- Average molar mass
- 603.6 g/mol
Names & identifiers
- Preferred name
- N'-(3-(Benzyloxy)-2-((3-(4-fluorophenyl)-2-oxopropyl)carbamoyl)-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
- IUPAC
- N-[4-[[3-(4-fluorophenyl)-2-oxopropyl]carbamoyl]-6-oxo-5-phenylmethoxy-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N',N'-dimethyloxamide
Names & synonyms
SCHEMBL9905158RJYFMZFWFOXVCQ-UHFFFAOYSA-NN'-(3-(Benzyloxy)-2-((3-(4-fluorophenyl)-2-oxopropyl)carbamoyl)-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
Database identifiers
- PubChem CID
- 67960337
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
2 records
Compound notes
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