2,7,12,17-tetrakis(2,3-dimethoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, XXN22702
HIT218690080
sdf文件结构编辑类似物检索
HIT ID: HIT218690080
Cas No: 88422-70-2
分子式: C52H46N4O8
分子量: 854.96
常用名: 2,7,12,17-tetrakis(2,3-dimethoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, XXN22702
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,7,12,17-tetrakis(2,3-dimethoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
SMILES: COc1cccc(c1OC)-c1c2ccc(n2)c(-c2cccc(OC)c2OC)c2ccc([nH]2)c(-c2cccc(OC)c2OC)c2ccc(n2)c(-c2cccc(OC)c2OC)c2ccc1[nH]2
InChI key: XQNRLSOCOYRFJL-XBWJNDOWSA-N
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