主记录
SCHEMBL17845153
- CAS
- 1779569-71-9
- PubChem CID
- 140746890
- SMILES
- B1(OC(C(O1)(C)C)(C)C)/C(=C(\B2OC(C(O2)(C)C)(C)C)/C3=CC4=C(C=C3)N(N=C4)C5CCCCO5)/CC
- 分子式
- C28H42B2N2O5
- 分子量
- 508.277
- 精确分子量
- 508.328
- InChI
- InChI=1S/C28H42B2N2O5/c1-10-21(29-34-25(2,3)26(4,5)35-29)24(30-36-27(6,7)28(8,9)37-30)19-14-15-22-20(17-19)18-31-32(22)23-13-11-12-16-33-23/h14-15,17-18,23H,10-13,16H2,1-9H3/b24-21-
- InChIKey
- RLTGNJRQJNQXDJ-FLFQWRMESA-N
- LogP
- 6.1618
- TPSA
- 63.97
名称与别名
- SCHEMBL17845153
- (Z)-5-(1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
- 1779569-71-9