MDL | MFCD19440967 |
---|---|
InChIKey | VGCVJZVDAAWTFC-UHFFFAOYSA-N |
Inchi | 1S/C22H34Br2N2O2S/c1-3-5-7-9-11-13-15-27-21-17(23)19-20(26-29-25-19)18(24)22(21)28-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
SMILES | BrC1C2C(C(=C(C=1OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])Br)=NSN=2 |
LogP | 8.69490 |
---|---|
PSA | 72.48000 |
熔点 | 43.0 to 47.0 deg-C |
密度 | 1.339 |
精确分子量 | 548.07100 |
---|---|
氢键供体数量 | 0 |
氢键受体数量 | 5 |
可旋转化学键数量 | 16 |
重原子数量 | 29 |
复杂度 | 386 |
拓扑分子极性表面积 | 72.5 |
海关编码 | 2934999090 |
---|---|
海关数据 |
中国海关编码:2934999090概述:2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素:品名, 成分含量, 用途 Summary:2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
PubChemId | 253661745 |
---|
SMILES:CCCCCCCCOC1C(OCCCCCCCC)=C(Br)C2C(=NSN=2)C=1Br
ExSMILES:548.07092
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC22H34N2O2SBr2