HIT ID: HIT212666640
Cas No: 2519503-82-1
分子式: C20H24ClFN4O2S
分子量: 438.95
常用名: PXS-5153A monohydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 1.8696836
IUPAC: 3-{1-[(2Z)-4-amino-2-fluorobut-2-en-1-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl}-N,N-dimethylbenzene-1-sulfonamide hydrochloride
IUPAC: 3-{1-[(2Z)-4-amino-2-fluorobut-2-en-1-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl}-N,N-dimethylbenzene-1-sulfonamide hydrochloride
SMILES: Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccnc12
SMILES: Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccnc12
InChI key: KLWZKAGUIGUVAY-LFMIJCLESA-N
