579458-79-0
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C26 H20 Cl F N2 O3 S2
MolWeight
527.038
1Identification
【Name】
3-CHLORO-N-[(6-ETHOXY-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740848
【English Synonyms】
【Formula】
C26 H20 Cl F N2 O3 S2
【MolWeight】
527.038
【Inchi】
InChI=1S/C26H20ClFN2O3S2/c1-2-33-18-6-8-21-15(11-18)10-16(25(31)29-21)13-30(14-19-4-3-9-34-19)26(32)24-23(27)20-7-5-17(28)12-22(20)35-24/h3-12H,2,13-14H2,1H3,(H,29,31)
【InChIKey】
InChIKey=BWFPDAPQPWUVLK-UHFFFAOYSA-N
【SMILES】
CCOc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3cccs3)C(=O)c4c(c5ccc(cc5s4)F)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F