579516-68-0
3-CHLORO-N-[(1,2-DIHYDRO-6,7-DIMETHOXY-2-OXO-3-QUINOLINYL)METHYL]-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-6BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(1,2-DIHYDRO-6,7-DIMETHOXY-2-OXO-3-QUINOLINYL)METHYL]-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-6BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C31 H28 Cl F N2 O6 S
MolWeight
611.087
1Identification
【Name】
3-CHLORO-N-[(1,2-DIHYDRO-6,7-DIMETHOXY-2-OXO-3-QUINOLINYL)METHYL]-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-6BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740954
【English Synonyms】
【Formula】
C31 H28 Cl F N2 O6 S
【MolWeight】
611.087
【Inchi】
InChI=1S/C31H28ClFN2O6S/c1-38-23-8-5-17(11-24(23)39-2)9-10-35(31(37)29-28(32)21-7-6-20(33)14-27(21)42-29)16-19-12-18-13-25(40-3)26(41-4)15-22(18)34-30(19)36/h5-8,11-15H,9-10,16H2,1-4H3,(H,34,36)
【InChIKey】
InChIKey=PQSKRVKOKBRMRO-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)CCN(Cc2cc3cc(c(cc3[nH]c2=O)OC)OC)C(=O)c4c(c5ccc(cc5s4)F)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F