N'-(2-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide

HCID 136159587
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Basic information

Standard SMILES
CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O
InChIKey
ZIADOCVRFNPCHL-UHFFFAOYSA-N
Molecular formula
C24H25FN6O5
Average molar mass
496.5 g/mol

Names & identifiers

Preferred name
N'-(2-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
IUPAC
N-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N',N'-dimethyloxamide

Names & synonyms

SCHEMBL9905201ZIADOCVRFNPCHL-UHFFFAOYSA-NN'-(2-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamideN-[[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-hydroxy-oxo-[?]yl]-N',N'-dimethyl-oxamide

Database identifiers

PubChem CID
136159587

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
141 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
36

Related reactions

1 records
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Compound notes

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