HIT ID: HIT106313081
Cas No: 855527-92-3;473722-68-8
分子式: C32H27F4N5O3
分子量: 605.594
常用名: rac-NBI-74330
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 5.2798448
IUPAC: N-{1-[3-(4-ethoxyphenyl)-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(pyridin-3-yl)methyl]acetamide
IUPAC: N-{1-[3-(4-ethoxyphenyl)-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(pyridin-3-yl)methyl]acetamide
SMILES: CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)C(C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
SMILES: CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)C(C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
InChI key: XMRGQUDUVGRCBS-UHFFFAOYSA-N
