HIT ID: HIT218847815
Cas No: 2543673-19-2
分子式: C26H36F3N7O2
分子量: 535.616
常用名: DCC-3116
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{3-[(2-{[2-ethyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)amino]propyl}-1,4-oxazepan-5-one
IUPAC: 4-{3-[(2-{[2-ethyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)amino]propyl}-1,4-oxazepan-5-one
SMILES: CCc1cc(ccc1Nc1ncc(c(NCCCN2CCOCCC2=O)n1)C(F)(F)F)N1CCN(C)CC1
SMILES: CCc1cc(ccc1Nc1ncc(c(NCCCN2CCOCCC2=O)n1)C(F)(F)F)N1CCN(C)CC1
InChI key: CNBTYICEJGEABG-UHFFFAOYSA-N