HIT ID: HIT214323455
Cas No: 2414285-40-6;1640808-39-4
分子式: C25H22ClN5O5
分子量: 507.93
常用名: Sivopixant
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-3-[(4E)-3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-{[4-(pyridin-2-yloxy)phenyl]imino}-1,3,5-triazinan-1-yl]-2-methylpropanoic acid
IUPAC: (2S)-3-[(4E)-3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-{[4-(pyridin-2-yloxy)phenyl]imino}-1,3,5-triazinan-1-yl]-2-methylpropanoic acid
SMILES: C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
SMILES: C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
InChI key: SKZQFKBIJUXXCG-INIZCTEOSA-N
