220026-75-5
METHYL ((4-OXO-3-PHENYL-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ACETATE
NameMETHYL ((4-OXO-3-PHENYL-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ACETATE
1Identification
【Name】
METHYL ((4-OXO-3-PHENYL-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ACETATE
【CAS】
【MDL】
MFCD01219531
【English Synonyms】
【Formula】
C17 H14 N2 O3 S
【MolWeight】
326.375
【Inchi】
InChI=1S/C17H14N2O3S/c1-22-15(20)11-23-17-18-14-10-6-5-9-13(14)16(21)19(17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
【InChIKey】
InChIKey=QBKFJJSNKWKRRJ-UHFFFAOYSA-N
【SMILES】
COC(=O)CSc1nc2ccccc2c(=O)n1c3ccccc3
【MOL File】
METHYL ((4-OXO-3-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL ((4-OXO-3-PHENYL-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ACETATE.cml