577696-36-7
2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
Name2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
1Identification
【Name】
2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
【CAS】
【MDL】
MFCD03223821
【English Synonyms】
【Formula】
C27 H21 N3 O2 S
【MolWeight】
451.548
【Inchi】
InChI=1S/C27H21N3O2S/c1-18-13-15-20(16-14-18)30-26(32)22-10-4-5-11-24(22)29-27(30)33-17-25(31)28-23-12-6-8-19-7-2-3-9-21(19)23/h2-16H,17H2,1H3,(H,28,31)
【InChIKey】
InChIKey=DXWFEVFWKPSOTI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCC(=O)Nc4cccc5c4cccc5
【MOL File】
2-[[3-(4-METHYLPHENY….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
2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE.cml