HIT ID: HIT212686839
Cas No: 2558205-28-8
分子式: C16H19ClN2O2S
分子量: 338.85
常用名: AkaLumine hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.1073678
IUPAC: (4S)-2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid hydrochloride
IUPAC: (4S)-2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid hydrochloride
SMILES: Cl.CN(C)c1ccc(\C=C\C=C\C2=N[C@H](CS2)C(O)=O)cc1 |t:11|
SMILES: Cl.CN(C)c1ccc(\C=C\C=C\C2=N[C@H](CS2)C(O)=O)cc1 |t:11|
InChI key: PZCNKVAGZCXXHX-SSRSOBHISA-N
