400084-70-0
1-(4-CHLORO-PHENYL)-3-[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLMETHYL)-2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL]-1-ISOPROPYL-UREA
Name1-(4-CHLORO-PHENYL)-3-[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLMETHYL)-2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL]-1-ISOPROPYL-UREA
FormulaC23 H20 Cl F2 N3 O4
1Identification
【Name】
1-(4-CHLORO-PHENYL)-3-[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLMETHYL)-2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL]-1-ISOPROPYL-UREA
【CAS】
【MDL】
MFCD01316926
【English Synonyms】
【Formula】
C23 H20 Cl F2 N3 O4
【MolWeight】
475.877
【Inchi】
InChI=1S/C23H20ClF2N3O4/c1-14(2)29(17-8-6-16(24)7-9-17)22(31)27-18-4-3-11-28(21(18)30)13-15-5-10-19-20(12-15)33-23(25,26)32-19/h3-12,14H,13H2,1-2H3,(H,27,31)
【InChIKey】
InChIKey=RISRPAYJWOSDKP-UHFFFAOYSA-N
【SMILES】
CC(C)N(c1ccc(cc1)Cl)C(=O)Nc2cccn(c2=O)Cc3ccc4c(c3)OC(O4)(F)F
【MOL File】
1-(4-CHLORO-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-CHLORO-PHENYL)-3-[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLMETHYL)-2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL]-1-ISOPROPYL-UREA.cml