2-(2-(4-(5-methylbenzo(b)furan-3-yl)piperidin-1-yl)ethyl)-4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one

HCID 21471979
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Basic information

Standard SMILES
Cc1ccc2occ(C3CCN(CCc4cc5c(s4)CCCC(=O)N5)CC3)c2c1
InChIKey
ZRNCWLBPNDFZMS-UHFFFAOYSA-N
Molecular formula
C24H28N2O2S
Average molar mass
408.6 g/mol

Names & identifiers

Preferred name
2-(2-(4-(5-methylbenzo(b)furan-3-yl)piperidin-1-yl)ethyl)-4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one
IUPAC
2-[2-[4-(5-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one

Names & synonyms

SCHEMBL8916973ZRNCWLBPNDFZMS-UHFFFAOYSA-N2-(2-(4-(5-methylbenzo(b)furan-3-yl)piperidin-1-yl)ethyl)-4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one

Database identifiers

PubChem CID
21471979

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
73.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
29

Related reactions

4 records
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Compound notes

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