HIT ID: HIT212692146
Cas No: 70369-47-0
分子式: C22H26ClN3O2
分子量: 399.92
常用名: Bucindolol hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 3.4859803
IUPAC: 2-(2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile hydrochloride
IUPAC: 2-(2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile hydrochloride
SMILES: Cl.CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N
SMILES: Cl.CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N
InChI key: NCEAPFRHADKEHP-UHFFFAOYSA-N