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N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide

HCID 317804
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Basic information

CAS
60807-07-0
Standard SMILES
COc1ccc(CC(=O)NNC(=O)C2(C(C)C)OC3(O)CCCCCN3C2=O)cc1OC
InChIKey
NTKGIQQNWOYNIS-UHFFFAOYSA-N
Molecular formula
C22H31N3O7
Average molar mass
449.5 g/mol
Monoisotopic mass
449.21620034

Names & identifiers

Preferred name
N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
IUPAC
N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide

Names & synonyms

60807-07-0NSC251247N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazideDTXSID20312218NSC-251247N'-[(3,4-Dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carbohydrazideOCTAHYDRO-9A-HYDROXY-2-(1-METHYLETHYL)OXAZOLO[3, 2-[(3,4-DIMETHOXYPHENYL)ACETYL]HYDRAZIDE

Database identifiers

CAS
60807-07-0
PubChem CID
317804
DTXSID
DTXSID20312218

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
126 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
718

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