1621585-22-5
中文名稱
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)-
英文名稱
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)-
CAS
1621585-22-5
分子式
C18H18F3N3O2S
分子量
397.41
MOL 文件
1621585-22-5.mol
1621585-22-5 結構式
基本信息
中文別名
化合物 PF-06663195 英文別名
PF-06663195PF-06663195 >=98% (HPLC)
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)-
物理化學性質(zhì)
沸點554.1±60.0 °C(Predicted)
密度1.55±0.1 g/cm3(Predicted)
儲存條件room temp
溶解度DMSO: 20mg/mL, clear
酸度系數(shù)(pKa)3.59±0.70(Predicted)
形態(tài)powder
顏色white to beige
InChI1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1
InChIKeyJIAYOIBUKDISBO-IYPIGGPWSA-N
SMILES[H][C@@]12[C@@](CO[C@@H](C3=CC(C)=NO3)C2)(C4=CC=C(F)C=C4F)N=C(N)S[C@@H]1CF