3-[(4-溴-2,6-二氟苄基)氧基]-5-[3-[4-(吡咯烷-1-基)丁基]脲基]异噻唑-4-甲酰胺

CAS号
252003-65-9
CCD编号
CCD00601684
分子式
C20 H24 Br F2 N5 O3 S
分子量
532.408

基本信息

产品名称: 3-[(4-溴-2,6-二氟苄基)氧基]-5-[3-[4-(吡咯烷-1-基)丁基]脲基]异噻唑-4-甲酰胺
CAS: 252003-65-9
中文同义词: 3-[(4-溴-2,6-二氟苄基)氧基]-5-[3-[4-(吡咯烷-1-基)丁基]脲基]异噻唑-4-甲酰胺
英文同义词: 4-ISOTHIAZOLECARBOXAMIDE, 3-[(4-BROMO-2,6-DIFLUOROPHENYL)METHOXY]-5-[[[[4-(1-PYRROLIDINYL)BUTYL]AMINO]CARBONYL]AMINO]- ; CP-547632 ; 3-((4-BROMO-2,6-DIFLUOROBENZYL)OXY)-5-(3-(4-(PYRROLIDIN-1-YL)BUTYL)UREIDO)ISOTHIAZOLE-4-CARBOXAMIDE ; 3-[(4-BROMO-2,6-DIFLUOROPHENYL)METHOXY]-5-[[[[4-(1-PYRROLIDINYL)BUTYL]AMINO]CARBONYL]AMINO]-4-ISOTHIAZOLECARBOXAMIDE ; 4-ISOTHIAZOLECARBOXAMIDE, 3-[(4-BROMO-2,6-DIFLUOROPHENYL)METHOXY-14C]-5-[[[[4-(1-PYRROLIDINYL)BUTYL]AMINO]CARBONYL]AMINO]-
MDL号: MFCD07772279
氢键受体数量: 8
氢键供体数量: 3
Smile: c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
InChi: InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
InChiKey: InChIKey=HXHAJRMTJXHJJZ-UHFFFAOYSA-N

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