主记录
NIBR189
- CAS
- 1599432-08-2
- PubChem CID
- 36295259
- SMILES
- COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br
- 分子式
- C21H21BrN2O3
- 分子量
- 429.314
- 精确分子量
- 428.0736
- InChI
- InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
- InChIKey
- OFHXXBRBGWUOHR-NYYWCZLTSA-N
- LogP
- 3.4555
- TPSA
- 49.85
名称与别名
- NIBR189
- 1599432-08-2
- NIBR-189
- NIBR189 (racemic)
- RefChem:406310
- C21H21BrN2O3
- NIBR 189
- MFCD13304236
- CHEMBL3262896
- NIBR189?
- orb1300020
- SCHEMBL16598583
- GTPL13052
- NIBR 189;
- GLXC-05541
- (E)-3-(4-Bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one
- BCP16145
- EX-A1054
- ZNC43208
- 2896AH
- BDBM50011716
- EBC-12067
- ZINC29118586
- AKOS008108061
- CS-3346
- EBC-253185
- compound 4m [PMID: 24678947]
- AC-35316
- AS-55968
- HY-12336