579454-06-1
3-CHLORO-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-FURANYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-FURANYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C26 H20 Cl F N2 O3 S
MolWeight
494.972
1Identification
【Name】
3-CHLORO-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-FURANYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740448
【English Synonyms】
【Formula】
C26 H20 Cl F N2 O3 S
【MolWeight】
494.972
【Inchi】
InChI=1S/C26H20ClFN2O3S/c1-14-8-15(2)20-10-16(25(31)29-21(20)9-14)12-30(13-18-4-3-7-33-18)26(32)24-23(27)19-6-5-17(28)11-22(19)34-24/h3-11H,12-13H2,1-2H3,(H,29,31)
【InChIKey】
InChIKey=KNEKJJGZKWKGAK-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2cc(c(=O)[nH]c2c1)CN(Cc3ccco3)C(=O)c4c(c5ccc(cc5s4)F)Cl)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F