579453-90-0
3-CHLORO-N-CYCLOHEXYL-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-CYCLOHEXYL-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C27 H26 Cl F N2 O2 S
MolWeight
497.031
1Identification
【Name】
3-CHLORO-N-CYCLOHEXYL-N-[(1,2-DIHYDRO-5,7-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740433
【English Synonyms】
【Formula】
C27 H26 Cl F N2 O2 S
【MolWeight】
497.031
【Inchi】
InChI=1S/C27H26ClFN2O2S/c1-15-10-16(2)21-12-17(26(32)30-22(21)11-15)14-31(19-6-4-3-5-7-19)27(33)25-24(28)20-9-8-18(29)13-23(20)34-25/h8-13,19H,3-7,14H2,1-2H3,(H,30,32)
【InChIKey】
InChIKey=INJFRBWOTSGVCA-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2cc(c(=O)[nH]c2c1)CN(C3CCCCC3)C(=O)c4c(c5ccc(cc5s4)F)Cl)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F