217461-89-7
2-(CHLOROMETHYL)-2-METHYL-3-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
Name2-(CHLOROMETHYL)-2-METHYL-3-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
pro_formulaC17 H17 Cl N2 O
1Identification
【Name】
2-(CHLOROMETHYL)-2-METHYL-3-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
【CAS】
【MDL】
MFCD00115983
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 Cl N2 O
【pro_molWeight】
300.787
【Inchi】
InChI=1S/C17H17ClN2O/c1-12-7-9-13(10-8-12)20-16(21)14-5-3-4-6-15(14)19-17(20,2)11-18/h3-10,19H,11H2,1-2H3
【InChIKey】
InChIKey=ZHWSMZIPTHEVFQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)N2C(=O)c3ccccc3NC2(C)CCl
【MOL File】
2-(CHLOROMETHYL)-2-M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-(CHLOROMETHYL)-2-METHYL-3-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE.cml