Sivopixant
(2S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid
Molecular Identity
Sivopixant
(2S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid
PubChem CID: 117752163
2D Structure
Properties
C25H22ClN5O5
Molecular Formula
507.90
Molecular Weight
g/mol
507.1309
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
826
Complexity
SMILES
Canonical SMILES
SMILES: CC(CN1C(=O)N=C(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OC4=CC=CC=N4)C(=O)OIsomeric SMILES
SMILES: C[C@@H](CN1C(=O)N=C(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OC4=CC=CC=N4)C(=O)OSynonyms(20)
Sivopixant2414285-40-6S0N1VEG94I1,3,5-Triazine-1(2H)-propanoic acid, 3-((4-chlorophenyl)methyl)tetrahydro-alpha-methyl-2,6-dioxo-4-((4-(2-pyridinyloxy)phenyl)imino)-, (alphaS,4E)-RefChem:183261(E/Z)-Sivopixant1640808-39-4Sivopixant [INN]UNII-S0N1VEG94IS-600918(2S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid(S,E)-3-(3-(4-Chlorobenzyl)-2,6-dioxo-4-((4-(pyridin-2-yloxy)phenyl)imino)-1,3,5-triazinan-1-yl)-2-methylpropanoic acidSivopixant?Sivopixant (JAN/INN)(E/Z)-S-600918
Data from PubChem (NCBI)
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