主记录
SCHEMBL18720908
- CAS
- 1779569-72-0
- PubChem CID
- 140872923
- SMILES
- B1(OC(C(O1)(C)C)(C)C)/C(=C(\C2=CC=C(C=C2)C=O)/C3=CC4=C(C=C3)N(N=C4)C5CCCCO5)/CC
- 分子式
- C29H35BN2O4
- 分子量
- 486.421
- 精确分子量
- 486.269
- InChI
- InChI=1S/C29H35BN2O4/c1-6-24(30-35-28(2,3)29(4,5)36-30)27(21-12-10-20(19-33)11-13-21)22-14-15-25-23(17-22)18-31-32(25)26-9-7-8-16-34-26/h10-15,17-19,26H,6-9,16H2,1-5H3/b27-24+
- InChIKey
- UFFWXRVOTFWVNO-SOYKGTTHSA-N
- LogP
- 6.3912
- TPSA
- 62.58
名称与别名
- SCHEMBL18720908
- (Z)-4-(1-(1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-yl)benzaldehyde
- 1779569-72-0