Name: BDP 630/650 tetrazine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219158855
Cas No:
常用名:BDP 630/650 tetrazine
别名:BP-28950
IUPAC:2,2-difluoro-4-[(1E)-2-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}ethenyl]-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-[(1E)-2-{4-[({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)methoxy]phenyl}ethenyl]-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:CKHJZZWHYDJLEJ-IZZDOVSWSA-N

分子式:C33H26BF2N7O2S
分子量:633.48
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)COc2ccc(\C=C\c3ccc4C=C5C=CC(c6cccs6)=[N+]5[B-](F)(F)n34)cc2)cc1
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)COc2ccc(\C=C\c3ccc4C=C5C=CC(c6cccs6)=[N+]5[B-](F)(F)n34)cc2)cc1

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