272451-61-3
3-IODO-N2-(2-METHYL-1-(METHYLTHIO)PROPAN-2-YL)-N1-(2-METHYL-4-(PERFLUOROPROPAN-2-YL)PHENYL)PHTHALAMIDE
Name3-IODO-N2-(2-METHYL-1-(METHYLTHIO)PROPAN-2-YL)-N1-(2-METHYL-4-(PERFLUOROPROPAN-2-YL)PHENYL)PHTHALAMIDE
FormulaC23 H22 F7 I N2 O2 S
1Identification
【Name】
3-IODO-N2-(2-METHYL-1-(METHYLTHIO)PROPAN-2-YL)-N1-(2-METHYL-4-(PERFLUOROPROPAN-2-YL)PHENYL)PHTHALAMIDE
【CAS】
【MDL】
MFCD16620730
【English Synonyms】
【Formula】
C23 H22 F7 I N2 O2 S
【MolWeight】
650.391
【Inchi】
InChI=1S/C23H22F7IN2O2S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-36-4/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
【InChIKey】
InChIKey=YRCWMUGSTMCXAS-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1NC(=O)c2cccc(c2C(=O)NC(C)(C)CSC)I)C(C(F)(F)F)(C(F)(F)F)F
【MOL File】
3-IODO-N2-(2-METHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-IODO-N2-(2-METHYL-1-(METHYLTHIO)PROPAN-2-YL)-N1-(2-METHYL-4-(PERFLUOROPROPAN-2-YL)PHENYL)PHTHALAMIDE.cml