579459-04-4
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-N-[(4-METHOXYPHENYL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-N-[(4-METHOXYPHENYL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C29 H25 Cl N2 O4 S
MolWeight
533.045
1Identification
【Name】
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-N-[(4-METHOXYPHENYL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740865
【English Synonyms】
【Formula】
C29 H25 Cl N2 O4 S
【MolWeight】
533.045
【Inchi】
InChI=1S/C29H25ClN2O4S/c1-3-36-22-12-13-24-19(15-22)14-20(28(33)31-24)17-32(16-18-8-10-21(35-2)11-9-18)29(34)27-26(30)23-6-4-5-7-25(23)37-27/h4-15H,3,16-17H2,1-2H3,(H,31,33)
【InChIKey】
InChIKey=OOQAGBKETFDZSW-UHFFFAOYSA-N
【SMILES】
CCOc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3ccc(cc3)OC)C(=O)c4c(c5ccccc5s4)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F