BrIR2
HIT218847623
sdf文件结构编辑类似物检索
HIT ID: HIT218847623
Cas No: 2089258-78-4
分子式: C68H70Br4N4O4S4
分子量: 1455.19
常用名: BrIR2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: bis({7-[9,9-bis(6-bromohexyl)-9H-fluoren-2-yl]-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl})-5lambda4,11-dithia-4,6,10,12-tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(12),2,4,5,7,9-hexaene
IUPAC: bis({7-[9,9-bis(6-bromohexyl)-9H-fluoren-2-yl]-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl})-5lambda4,11-dithia-4,6,10,12-tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(12),2,4,5,7,9-hexaene
SMILES: BrCCCCCCC1(CCCCCCBr)c2ccccc2-c2ccc(cc12)-c1sc(c2OCCOc12)-c1c2N=S=Nc2c(-c2sc(c3OCCOc23)-c2ccc3-c4ccccc4C(CCCCCCBr)(CCCCCCBr)c3c2)c2nsnc12
SMILES: BrCCCCCCC1(CCCCCCBr)c2ccccc2-c2ccc(cc12)-c1sc(c2OCCOc12)-c1c2N=S=Nc2c(-c2sc(c3OCCOc23)-c2ccc3-c4ccccc4C(CCCCCCBr)(CCCCCCBr)c3c2)c2nsnc12
InChI key: XMPUHNVRGCGMRL-UHFFFAOYSA-N
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