6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
Molecular Identity
6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
PubChem CID: 44182694
2D Structure
Properties
C26H32BrNO4
Molecular Formula
502.40
Molecular Weight
g/mol
501.1515
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
48
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)BrIsomeric SMILES
SMILES: COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)BrSynonyms(20)
DSP-10531176326-76-36-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-oneCHEMBL4226281C26H32BrNO4orb1709824SCHEMBL1344325ZSVLGHSNQJYODD-UHFFFAOYSA-NBXB32676BDBM50460159AKOS040733033DA-63034MS-29328HY-111419CS-0040565
Data from PubChem (NCBI)
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Molecular Structure
6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
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Drug Network
Trials and conditions connected to 6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
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