SEDES

8064-83-3

MFCD01670710

C17 H19 Cl N2 S . C13 H17 N3 O . C10 H13 N O2 . C8 H10 N4 O2

923.578

InChI=1S/C17H19ClN2S.C13H17N3O.C10H13NO2.C8H10N4O2/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-3-13-10-6-4-9(5-7-10)11-8(2)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h3-4,6-9,12H,5,10-11H2,1-2H3;5-9H,1-4H3;4-7H,3H2,1-2H3,(H,11,12);4H,1-3H3

InChIKey=LAOROLNDGSJOEB-UHFFFAOYSA-N

CCOc1ccc(cc1)NC(=O)C.Cc1c(c(=O)n(n1C)c2ccccc2)N(C)C.Cn1cnc2c1c(=O)n(c(=O)n2C)C.CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

pro_donors:0

pro_acceptors:2

XLogP3:5.0

Bulk/Fine:F