585551-93-5
N-(3-CHLORO-4-METHYLPHENYL)-2-[[3-(4-ETHOXYPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE
NameN-(3-CHLORO-4-METHYLPHENYL)-2-[[3-(4-ETHOXYPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE
FormulaC25 H22 Cl N3 O3 S
1Identification
【Name】
N-(3-CHLORO-4-METHYLPHENYL)-2-[[3-(4-ETHOXYPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03474422
【English Synonyms】
【Formula】
C25 H22 Cl N3 O3 S
【MolWeight】
479.986
【Inchi】
InChI=1S/C25H22ClN3O3S/c1-3-32-19-12-10-18(11-13-19)29-24(31)20-6-4-5-7-22(20)28-25(29)33-15-23(30)27-17-9-8-16(2)21(26)14-17/h4-14H,3,15H2,1-2H3,(H,27,30)
【InChIKey】
InChIKey=XDOJGACGHLMITB-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)n2c(=O)c3ccccc3nc2SCC(=O)Nc4ccc(c(c4)Cl)C
【MOL File】
N-(3-CHLORO-4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CHLORO-4-METHYLPHENYL)-2-[[3-(4-ETHOXYPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE.cml