(S)-N-ethyl-3-methyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

HCID 46864564

Basic information

Standard SMILES
CCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)c(C)c1
InChIKey
LDMNYLXCFNARPT-QHCPKHFHSA-N
Molecular formula
C26H34N6O2
Average molar mass
462.6 g/mol
Monoisotopic mass
462.27432435

Names & identifiers

Preferred name
(S)-N-ethyl-3-methyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide
IUPAC
N-ethyl-3-methyl-4-[4-[[(10S)-9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]methyl]piperazin-1-yl]benzamide

Names & synonyms

SCHEMBL718763LDMNYLXCFNARPT-QHCPKHFHSA-N(S)-N-ethyl-3-methyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

Database identifiers

PubChem CID
46864564

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
80.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

Related reactions

5 records

Compound notes

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