Cy3 methyltetrazine
HIT217585099
sdf文件结构编辑类似物检索
HIT ID: HIT217585099
Cas No: 2183473-57-4
分子式: C40H46BF4N7O
分子量: 727.66
常用名: Cy3 methyltetrazine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-2-[3-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-3H-indol-1-ium; [tris(-lambda2-fluoranidyl)-lambda1-boranetriiumyl]-lambda2-fluoranide
IUPAC: 3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-2-[3-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-3H-indol-1-ium; [tris(-lambda2-fluoranidyl)-lambda1-boranetriiumyl]-lambda2-fluoranide
SMILES: [F-][B+3]([F-])([F-])[F-].CN1C(=CC=CC2=[N+](CCCCCC(=O)NCc3ccc(cc3)-c3nnc(C)nn3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
SMILES: [F-][B+3]([F-])([F-])[F-].CN1C(=CC=CC2=[N+](CCCCCC(=O)NCc3ccc(cc3)-c3nnc(C)nn3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
InChI key: XMPUYESTAOFGCZ-UHFFFAOYSA-O
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