330796-24-2
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[[3-(4-FLUOROPHENYL)-3,4-DIHYDRO-4-OXO-2-QUINAZOLINYL]METHYL]UREA
NameN-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[[3-(4-FLUOROPHENYL)-3,4-DIHYDRO-4-OXO-2-QUINAZOLINYL]METHYL]UREA
FormulaC23 H15 Cl F4 N4 O2
1Identification
【Name】
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[[3-(4-FLUOROPHENYL)-3,4-DIHYDRO-4-OXO-2-QUINAZOLINYL]METHYL]UREA
【CAS】
【MDL】
MFCD10567691
【English Synonyms】
【Formula】
C23 H15 Cl F4 N4 O2
【MolWeight】
490.842
【Inchi】
InChI=1S/C23H15ClF4N4O2/c24-18-10-7-14(11-17(18)23(26,27)28)30-22(34)29-12-20-31-19-4-2-1-3-16(19)21(33)32(20)15-8-5-13(25)6-9-15/h1-11H,12H2,(H2,29,30,34)
【InChIKey】
InChIKey=NYOXUHUPXGFHIB-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)n(c(n2)CNC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)c4ccc(cc4)F
【MOL File】
N-[4-CHLORO-3-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[[3-(4-FLUOROPHENYL)-3,4-DIHYDRO-4-OXO-2-QUINAZOLINYL]METHYL]UREA.cml