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

CAS号
CCD编号
CCD00279805
分子式
C18 H13 Br N4 O3 S
分子量
445.296

基本信息

产品名称: 6-(1,3-BENZODIOXOL-5-YL)-10-BROMO-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
英文同义词: 6-(1,3-BENZODIOXOL-5-YL)-10-BROMO-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
MDL号: MFCD02071128
氢键受体数量: 7
氢键供体数量: 1
Smile: CSc1nc2c(nn1)-c3cc(ccc3NC(O2)c4ccc5c(c4)OCO5)Br
InChi: InChI=1S/C18H13BrN4O3S/c1-27-18-21-17-15(22-23-18)11-7-10(19)3-4-12(11)20-16(26-17)9-2-5-13-14(6-9)25-8-24-13/h2-7,16,20H,8H2,1H3
InChiKey: InChIKey=XKNDHTWLJKKZKG-UHFFFAOYSA-N

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