HIT ID: HIT212714941
Cas No: 1003566-93-5
分子式: C27H32Cl2N2O7
分子量: 567.46
常用名: AZD-4818
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 0.6917828
IUPAC: 2-{2-chloro-5-[(2S)-3-{5-chloro-3H-spiro[1-benzofuran-2,4'-piperidin]-1'-yl}-2-hydroxypropoxy]-4-(methylcarbamoyl)phenoxy}-2-methylpropanoic acid
IUPAC: 2-{2-chloro-5-[(2S)-3-{5-chloro-3H-spiro[1-benzofuran-2,4'-piperidin]-1'-yl}-2-hydroxypropoxy]-4-(methylcarbamoyl)phenoxy}-2-methylpropanoic acid
SMILES: CNC(=O)c1cc(Cl)c(OC(C)(C)C(O)=O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
SMILES: CNC(=O)c1cc(Cl)c(OC(C)(C)C(O)=O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
InChI key: HVTUHSABWJPWNK-SFHVURJKSA-N
