Molecules/(6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
(6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
(6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
Molecular Identity
(6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
(6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
PubChem CID: 163281652
2D Structure
Properties
C21H28F3N3O2
Molecular Formula
411.50
Molecular Weight
g/mol
411.2134
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
43.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
604
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)CN1CC2N(CCC(=O)N2C(C1=O)C)CC3=CC=C(C=C3)C(F)(F)FIsomeric SMILES
SMILES: CCC(C)CN1CC2N(CCC(=O)N2[C@H](C1=O)C)CC3=CC=C(C=C3)C(F)(F)FSynonyms(4)
SCHEMBL24400208ATH-1105EX-A162022768938-45-8
Data from PubChem (NCBI)
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Molecular Structure
(6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
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Drug Network
Trials and conditions connected to (6S)-6-methyl-8-(2-methylbutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
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