HIT ID: HIT212672417
Cas No: 1255303-54-8
分子式: C30H34N2O6
分子量: 518.61
常用名: JTE-952
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 2.686732
IUPAC: (2S)-3-{[2-(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidine-1-carbonyl)pyridin-4-yl]methoxy}propane-1,2-diol
IUPAC: (2S)-3-{[2-(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidine-1-carbonyl)pyridin-4-yl]methoxy}propane-1,2-diol
SMILES: COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1
SMILES: COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1
InChI key: LTTJGQBDGMNWHJ-SANMLTNESA-N
