APN-C3-PEG4-alkyne
HIT212668587
sdf文件结构编辑类似物检索
HIT ID: HIT212668587
Cas No: 2183440-36-8
分子式: C25H31N3O6
分子量: 469.538
常用名: APN-C3-PEG4-alkyne
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 1.1849681
IUPAC: N-(3-{[4-(2-cyanoeth-1-yn-1-yl)phenyl]carbamoyl}propyl)-4,7,10,13-tetraoxahexadec-15-ynamide
IUPAC: N-(3-{[4-(2-cyanoeth-1-yn-1-yl)phenyl]carbamoyl}propyl)-4,7,10,13-tetraoxahexadec-15-ynamide
SMILES: O=C(CCOCCOCCOCCOCC#C)NCCCC(=O)Nc1ccc(cc1)C#CC#N
SMILES: O=C(CCOCCOCCOCCOCC#C)NCCCC(=O)Nc1ccc(cc1)C#CC#N
InChI key: RDAQOUAJNYKTCK-UHFFFAOYSA-N
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