518047-27-3
5-HYDROXY-1-METHYL-6-OXO-2-P-TOLYL-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID 4-FLUORO-BENZYLAMIDE
Name5-HYDROXY-1-METHYL-6-OXO-2-P-TOLYL-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID 4-FLUORO-BENZYLAMIDE
pro_formulaC20 H18 F N3 O3
1Identification
【Name】
5-HYDROXY-1-METHYL-6-OXO-2-P-TOLYL-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID 4-FLUORO-BENZYLAMIDE
【CAS】
【MDL】
MFCD04974516
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H18 F N3 O3
【pro_molWeight】
367.378
【Inchi】
InChI=1S/C20H18FN3O3/c1-12-3-7-14(8-4-12)18-23-16(17(25)20(27)24(18)2)19(26)22-11-13-5-9-15(21)10-6-13/h3-10,25H,11H2,1-2H3,(H,22,26)
【InChIKey】
InChIKey=WHVOMNUJJHPZEB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2nc(c(c(=O)n2C)O)C(=O)NCc3ccc(cc3)F
【MOL File】
5-HYDROXY-1-METHYL-6….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-HYDROXY-1-METHYL-6-OXO-2-P-TOLYL-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID 4-FLUORO-BENZYLAMIDE.cml