3-[3-(PENTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENOL

CAS号
CCD编号
CCD00234484
分子式
C21 H22 N4 O2 S
分子量
394.497

基本信息

产品名称: 3-[3-(PENTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENOL
英文同义词: 3-[3-(PENTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENOL
MDL号: MFCD01647917
氢键受体数量: 6
氢键供体数量: 2
Smile: CCCCCSc1nc2c(nn1)-c3ccccc3NC(O2)c4cccc(c4)O
InChi: InChI=1S/C21H22N4O2S/c1-2-3-6-12-28-21-23-20-18(24-25-21)16-10-4-5-11-17(16)22-19(27-20)14-8-7-9-15(26)13-14/h4-5,7-11,13,19,22,26H,2-3,6,12H2,1H3
InChiKey: InChIKey=VPBJYRXGSHEKAT-UHFFFAOYSA-N

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