579454-05-0
3-CHLORO-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-N-(2-FURANYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-N-(2-FURANYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C26 H21 Cl N2 O3 S
MolWeight
476.982
1Identification
【Name】
3-CHLORO-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-N-(2-FURANYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740447
【English Synonyms】
【Formula】
C26 H21 Cl N2 O3 S
【MolWeight】
476.982
【Inchi】
InChI=1S/C26H21ClN2O3S/c1-15-10-16(2)20-12-17(25(30)28-21(20)11-15)13-29(14-18-6-5-9-32-18)26(31)24-23(27)19-7-3-4-8-22(19)33-24/h3-12H,13-14H2,1-2H3,(H,28,30)
【InChIKey】
InChIKey=QNHZAQAFRRYRJF-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2cc(c(=O)[nH]c2c1)CN(Cc3ccco3)C(=O)c4c(c5ccccc5s4)Cl)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F