911370-54-2 ((Benzoic acid, 3-[2-[[3-(diethylamino)propyl]amino]-8-(2,6-difluorophenyl)-7,8-dihydro-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-, 1,1-dimethylethyl ester)

CAS号:
911370-54-2
英文名称:
Benzoic acid, 3-[2-[[3-(diethylamino)propyl]amino]-8-(2,6-difluorophenyl)-7,8-dihydro-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-, 1,1-dimethylethyl ester
分子式:
C32H36F3N5O3
分子量:
595.655158042908

Benzoic acid, 3-[2-[[3-(diethylamino)propyl]amino]-8-(2,6-difluorophenyl)-7,8-dihydro-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-, 1,1-dimethylethyl ester(911370-54-2)名称与标识符

名称

英文别名:
Benzoic acid, 3-[2-[[3-(diethylamino)propyl]amino]-8-(2,6-difluorophenyl)-7,8-dihydro-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-, 1,1-dimethylethyl ester;

标识符

InChIKey:
WCOCVIWFOHBODH-UHFFFAOYSA-N
Inchi:
1S/C32H36F3N5O3/c1-7-39(8-2)16-10-15-36-31-37-27(22-17-20(18-25(35)19(22)3)30(42)43-32(4,5)6)21-13-14-26(41)40(29(21)38-31)28-23(33)11-9-12-24(28)34/h9,11-14,17-18H,7-8,10,15-16H2,1-6H3,(H,36,37,38)
SMILES:
O=C1C=CC2=C(C3C(=C(C=C(C=3)C(=O)OC(C)(C)C)F)C)N=C(N=C2N1C1C(=CC=CC=1F)F)NCCCN(CC)CC

Benzoic acid, 3-[2-[[3-(diethylamino)propyl]amino]-8-(2,6-difluorophenyl)-7,8-dihydro-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-, 1,1-dimethylethyl ester(911370-54-2)物化性质

实验特性

  • 沸点 : 704.397±70.00 °C(Press: 760.00 Torr)(predicted)
  • 酸度系数(pKa) : 10.219±0.25(predicted)
  • 密度 : 1.254±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)