DV-7028 hydrochloride

HCID 131620

Notes Reactions

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Basic information

Standard SMILES: O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)nc3n(c2=O)CCCC3)CC1
InChIKey: ABLOJQGCNLNCFS-UHFFFAOYSA-N
Molecular formula: C21H25FN4O3
Average molar mass: 400.4 g/mol

Names & identifiers

Preferred name: DV-7028 hydrochloride
IUPAC: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione

Names & synonyms

DV-7028 hydrochloride3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]-1,3,5-triazine-2,4(3H)-dione hydrochlorideCHEMBL292624SCHEMBL9376794GLXC-01835NCGC00379138-01

Database identifiers

PubChem CID: 131620
ChEMBL: CHEMBL292624
Nikkaji: J443.094H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 73.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 681

Related reactions

2 records

New reaction record

HRID 813483As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2346728As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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