7-[6-(1H-imidazol-2-yl)pyridin-3-yl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-carbonyl chloride

HCID 86672035
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Basic information

Standard SMILES
O=C(Cl)N1CCOc2ccc(-c3ccc(-c4ncc[nH]4)nc3)cc2C1
InChIKey
BIVVBLXBOFAKRP-UHFFFAOYSA-N
Molecular formula
C18H15ClN4O2
Average molar mass
354.8 g/mol
Monoisotopic mass
354.0883534

Names & identifiers

Preferred name
7-[6-(1H-imidazol-2-yl)pyridin-3-yl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-carbonyl chloride
IUPAC
7-[6-(1H-imidazol-2-yl)-3-pyridinyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl chloride

Names & synonyms

SCHEMBL2726086BIVVBLXBOFAKRP-UHFFFAOYSA-N7-[6-(1H-imidazol-2-yl)pyridin-3-yl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-carbonyl chloride

Database identifiers

PubChem CID
86672035

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
71.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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