72235-20-2
2-[(CYCLOHEXYLAMINO)METHYL]-3-PHENYL-4(3H)-QUINAZOLINONE
Name2-[(CYCLOHEXYLAMINO)METHYL]-3-PHENYL-4(3H)-QUINAZOLINONE
1Identification
【Name】
2-[(CYCLOHEXYLAMINO)METHYL]-3-PHENYL-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD11974405
【English Synonyms】
【Formula】
C21 H23 N3 O
【MolWeight】
333.433
【Inchi】
InChI=1S/C21H23N3O/c25-21-18-13-7-8-14-19(18)23-20(15-22-16-9-3-1-4-10-16)24(21)17-11-5-2-6-12-17/h2,5-8,11-14,16,22H,1,3-4,9-10,15H2
【InChIKey】
InChIKey=QRQUZJAUFUJISA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nc3ccccc3c2=O)CNC4CCCCC4
【MOL File】
2-[(CYCLOHEXYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(CYCLOHEXYLAMINO)METHYL]-3-PHENYL-4(3H)-QUINAZOLINONE.cml