623936-46-9
5-(4-CHLOROBENZOYL)-6-(3,4-DIMETHOXYPHENYL)-4-HYDROXY-4-(TRIFLUOROMETHYL)TETRAHYDRO-2(1H)-PYRIMIDINONE
Name5-(4-CHLOROBENZOYL)-6-(3,4-DIMETHOXYPHENYL)-4-HYDROXY-4-(TRIFLUOROMETHYL)TETRAHYDRO-2(1H)-PYRIMIDINONE
FormulaC20 H18 Cl F3 N2 O5
1Identification
【Name】
5-(4-CHLOROBENZOYL)-6-(3,4-DIMETHOXYPHENYL)-4-HYDROXY-4-(TRIFLUOROMETHYL)TETRAHYDRO-2(1H)-PYRIMIDINONE
【CAS】
【MDL】
MFCD03724121
【English Synonyms】
【Formula】
C20 H18 Cl F3 N2 O5
【MolWeight】
458.818
【Inchi】
InChI=1S/C20H18ClF3N2O5/c1-30-13-8-5-11(9-14(13)31-2)16-15(17(27)10-3-6-12(21)7-4-10)19(29,20(22,23)24)26-18(28)25-16/h3-9,15-16,29H,1-2H3,(H2,25,26,28)
【InChIKey】
InChIKey=NEZAIKZIIBUTTL-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)c3ccc(cc3)Cl
【MOL File】
5-(4-CHLOROBENZOYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-CHLOROBENZOYL)-6-(3,4-DIMETHOXYPHENYL)-4-HYDROXY-4-(TRIFLUOROMETHYL)TETRAHYDRO-2(1H)-PYRIMIDINONE.cml