trans-2-Benzo[d] isoxazol-3-yl-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide

HCID 54771973
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Basic information

Standard SMILES
O=C(Cc1noc2ccccc12)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey
MWMCOQFLGVOAHE-UHFFFAOYSA-N
Molecular formula
C28H35N5O3
Average molar mass
489.6 g/mol
Monoisotopic mass
489.27399

Names & identifiers

Preferred name
trans-2-Benzo[d] isoxazol-3-yl-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide
IUPAC
2-(1,2-benzoxazol-3-yl)-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide

Names & synonyms

SCHEMBL1698349SCHEMBL1698904CHEMBL3642805MWMCOQFLGVOAHE-MEMLXQNLSA-NBDBM106540US8586579, 156trans-2-Benzo[d] isoxazol-3-yl-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide

Database identifiers

PubChem CID
54771973
ChEMBL
CHEMBL3642805

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
83.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
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Compound notes

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