Name: 2,2-difluoro-4-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
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sdf 文件

结构编辑

类似物检索

HIT ID:HIT221058939
Cas No:
常用名:2,2-difluoro-4-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
常用名:2,2-difluoro-4-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:2,2-difluoro-4-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:2,2-difluoro-4-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}-12-(thiophen-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:InChIKey=LJMVQPCJLWRFNA-UHFFFAOYSA-N

分子式:C31H24BF2N7O2S
分子量:607.45
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)COc2ccc(cc2)-c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)COc2ccc(cc2)-c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1

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