110009-16-0
BETA-(6,8-DIBROMO-2-METHYL-3,4-DIHYDRO-4-OXOQUINAZOLIN-3-YL)ETHYL P-AN ISIDINOACETATE
NameBETA-(6,8-DIBROMO-2-METHYL-3,4-DIHYDRO-4-OXOQUINAZOLIN-3-YL)ETHYL P-AN ISIDINOACETATE
1Identification
【Name】
BETA-(6,8-DIBROMO-2-METHYL-3,4-DIHYDRO-4-OXOQUINAZOLIN-3-YL)ETHYL P-AN ISIDINOACETATE
【CAS】
【MDL】
MFCD01724674
【English Synonyms】
【Formula】
C20 H19 Br2 N3 O4
【MolWeight】
525.195
【Inchi】
InChI=1S/C20H19Br2N3O4/c1-12-24-19-16(9-13(21)10-17(19)22)20(27)25(12)7-8-29-18(26)11-23-14-3-5-15(28-2)6-4-14/h3-6,9-10,23H,7-8,11H2,1-2H3
【InChIKey】
InChIKey=CNYOXBWJBKCCJB-UHFFFAOYSA-N
【SMILES】
Cc1nc2c(cc(cc2Br)Br)c(=O)n1CCOC(=O)CNc3ccc(cc3)OC
【MOL File】
BETA-(6,8-DIBROMO-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BETA-(6,8-DIBROMO-2-METHYL-3,4-DIHYDRO-4-OXOQUINAZOLIN-3-YL)ETHYL P-AN ISIDINOACETATE.cml