PCO371
HIT212672794
sdf文件结构编辑类似物检索
HIT ID: HIT212672794
Cas No: 1613373-33-3
分子式: C29H32F3N5O6S
分子量: 635.66
常用名: PCO371
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 3.8100238
IUPAC: 1-{3,5-dimethyl-4-[2-({4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl}sulfonyl)ethyl]phenyl}-5,5-dimethylimidazolidine-2,4-dione
IUPAC: 1-{3,5-dimethyl-4-[2-({4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl}sulfonyl)ethyl]phenyl}-5,5-dimethylimidazolidine-2,4-dione
SMILES: Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C1(C)C |c:21|
SMILES: Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C1(C)C |c:21|
InChI key: LDZJFVOUPUFOHX-UHFFFAOYSA-N
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