HIT ID: HIT212671965
Cas No: 125961-82-2
分子式: C29H38O7S
分子量: 530.68
常用名: Tipelukast
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 6.3145275
IUPAC: 4-(6-acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid
IUPAC: 4-(6-acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid
SMILES: CCCc1c(O)c(ccc1SCCCOc1ccc(C(C)=O)c(OCCCC(O)=O)c1CCC)C(C)=O
SMILES: CCCc1c(O)c(ccc1SCCCOc1ccc(C(C)=O)c(OCCCC(O)=O)c1CCC)C(C)=O
InChI key: KPWYNAGOBXLMSE-UHFFFAOYSA-N
