566144-81-8
3-(4-METHYLPHENYL)-2-((1-NAPHTHYLMETHYL)THIO)-4(3H)-QUINAZOLINONE
Name3-(4-METHYLPHENYL)-2-((1-NAPHTHYLMETHYL)THIO)-4(3H)-QUINAZOLINONE
1Identification
【Name】
3-(4-METHYLPHENYL)-2-((1-NAPHTHYLMETHYL)THIO)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD03223835
【English Synonyms】
【Formula】
C26 H20 N2 O S
【MolWeight】
408.523
【Inchi】
InChI=1S/C26H20N2OS/c1-18-13-15-21(16-14-18)28-25(29)23-11-4-5-12-24(23)27-26(28)30-17-20-9-6-8-19-7-2-3-10-22(19)20/h2-16H,17H2,1H3
【InChIKey】
InChIKey=QVVROUXXWYWUDY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4cccc5c4cccc5
【MOL File】
3-(4-METHYLPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHYLPHENYL)-2-((1-NAPHTHYLMETHYL)THIO)-4(3H)-QUINAZOLINONE.cml