4-[10-BROMO-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]BENZOIC ACID

CAS号
CCD编号
CCD00279793
分子式
C18 H13 Br N4 O3 S
分子量
445.296

基本信息

产品名称: 4-[10-BROMO-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]BENZOIC ACID
英文同义词: 4-[10-BROMO-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]BENZOIC ACID
MDL号: MFCD02071116
氢键受体数量: 7
氢键供体数量: 2
Smile: CSc1nc2c(nn1)-c3cc(ccc3NC(O2)c4ccc(cc4)C(=O)O)Br
InChi: InChI=1S/C18H13BrN4O3S/c1-27-18-21-16-14(22-23-18)12-8-11(19)6-7-13(12)20-15(26-16)9-2-4-10(5-3-9)17(24)25/h2-8,15,20H,1H3,(H,24,25)
InChiKey: InChIKey=CJEDIWPWYVWGLB-UHFFFAOYSA-N

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