1-[(E)-3-(3,4-Dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one

HCID 62044921
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Basic information

Standard SMILES
O=C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCN1
InChIKey
HTJFERSPZLONLM-DUXPYHPUSA-N
Molecular formula
C14H14Cl2N2O2
Average molar mass
313.2 g/mol

Names & identifiers

Preferred name
1-[(E)-3-(3,4-Dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one
IUPAC
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

Names & synonyms

SCHEMBL1556407HTJFERSPZLONLM-DUXPYHPUSA-N1-[(E)-3-(3,4-Dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one

Database identifiers

PubChem CID
62044921

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
20

Related reactions

24 records
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Linked notes

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