579459-26-0
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-PHENYLETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-PHENYLETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C29 H24 Cl F N2 O3 S
MolWeight
535.037
1Identification
【Name】
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-PHENYLETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740881
【English Synonyms】
【Formula】
C29 H24 Cl F N2 O3 S
【MolWeight】
535.037
【Inchi】
InChI=1S/C29H24ClFN2O3S/c1-2-36-22-9-11-24-19(15-22)14-20(28(34)32-24)17-33(13-12-18-6-4-3-5-7-18)29(35)27-26(30)23-10-8-21(31)16-25(23)37-27/h3-11,14-16H,2,12-13,17H2,1H3,(H,32,34)
【InChIKey】
InChIKey=HRVLNMGQSXMHHQ-UHFFFAOYSA-N
【SMILES】
CCOc1ccc2c(c1)cc(c(=O)[nH]2)CN(CCc3ccccc3)C(=O)c4c(c5ccc(cc5s4)F)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F