4-([2-(4-ETHOXYPHENYL)-5-OXO-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]METHYL)BENZOIC ACID

CAS号
CCD编号
CCD03263004
分子式
C22 H21 N3 O4
分子量
391.425

基本信息

产品名称: 4-([2-(4-ETHOXYPHENYL)-5-OXO-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]METHYL)BENZOIC ACID
英文同义词: 4-([2-(4-ETHOXYPHENYL)-5-OXO-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]METHYL)BENZOIC ACID
MDL号: MFCD16991291
氢键受体数量: 7
氢键供体数量: 1
Smile: CCOc1ccc(cc1)c2cc3n(n2)CCC(=O)N3Cc4ccc(cc4)C(=O)O
InChi: InChI=1S/C22H21N3O4/c1-2-29-18-9-7-16(8-10-18)19-13-20-24(21(26)11-12-25(20)23-19)14-15-3-5-17(6-4-15)22(27)28/h3-10,13H,2,11-12,14H2,1H3,(H,27,28)
InChiKey: InChIKey=NBTPGBRPOKWPIS-UHFFFAOYSA-N

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