主记录
DS18561882
- CAS
- 2227149-22-4
- PubChem CID
- 139486677
- SMILES
- C[C@H]1CN(CCN1C)C2=C(C3=C(C=C2)C4=C(CN(CC4)C(=O)C5=CC(=C(C=C5)NS(=O)(=O)C)OC(F)(F)F)C(=O)O3)C
- 分子式
- C28H31F3N4O6S
- 分子量
- 608.639
- 精确分子量
- 608.1916
- InChI
- InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1
- InChIKey
- OQKAKSSZSQPTDZ-INIZCTEOSA-N
- LogP
- 3.7103
- TPSA
- 112.4
名称与别名
- DS18561882
- 2227149-22-4
- CHEMBL4463968
- orb1709827
- SCHEMBL21354088
- SCHEMBL29655005
- OQKAKSSZSQPTDZ-INIZCTEOSA-N
- GLXC-21695
- EX-A7053
- BDBM50509364
- MFCD32263053
- NSC828508
- AKOS040733029
- NSC-828508
- DA-63027
- MS-30683
- CID 139486677
- HY-130251
- CS-0106036
- G17105
- A1019839
- (S)-N-(4-(8-(3,4-Dimethylpiperazin-1-yl)-7-methyl-5-oxo-1,3,4,5-tetrahydro-2H-chromeno[3,4-c]pyridine-3-carbonyl)-2-(trifluoromethoxy)phenyl)methanesulfonamide
- N-[4-[8-[(3S)-3,4-dimethylpiperazin-1-yl]-7-methyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-2-(trifluoromethoxy)phenyl]methanesulfonamide