871814-22-1
3-(4-CHLOROPHENYL)-8-(CYCLOPROPYLMETHOXY)-7-HYDROXY-2-(1-METHYLETHYL)-4(3H)-QUINAZOLINONE
Name3-(4-CHLOROPHENYL)-8-(CYCLOPROPYLMETHOXY)-7-HYDROXY-2-(1-METHYLETHYL)-4(3H)-QUINAZOLINONE
1Identification
【Name】
3-(4-CHLOROPHENYL)-8-(CYCLOPROPYLMETHOXY)-7-HYDROXY-2-(1-METHYLETHYL)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD16878670
【English Synonyms】
【Formula】
C21 H21 Cl N2 O3
【MolWeight】
384.861
【Inchi】
InChI=1S/C21H21ClN2O3/c1-12(2)20-23-18-16(9-10-17(25)19(18)27-11-13-3-4-13)21(26)24(20)15-7-5-14(22)6-8-15/h5-10,12-13,25H,3-4,11H2,1-2H3
【InChIKey】
InChIKey=GTMJORJKGXSEMN-UHFFFAOYSA-N
【SMILES】
CC(C)c1nc2c(ccc(c2OCC3CC3)O)c(=O)n1c4ccc(cc4)Cl
【MOL File】
3-(4-CHLOROPHENYL)-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-CHLOROPHENYL)-8-(CYCLOPROPYLMETHOXY)-7-HYDROXY-2-(1-METHYLETHYL)-4(3H)-QUINAZOLINONE.cml