8-(3-(2-THIENYL-2-DIOXOLANYL)PROPYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4,5)DECANE FUMARATE

102505-06-6

MFCD01679373

C23 H29 N3 O3 S . C4 H4 O4

543.638

InChI=1S/C23H29N3O3S.C4H4O4/c27-21-22(26(18-24-21)19-6-2-1-3-7-19)10-13-25(14-11-22)12-5-9-23(28-15-16-29-23)20-8-4-17-30-20;5-3(6)1-2-4(7)8/h1-4,6-8,17H,5,9-16,18H2,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey=SADOYKVGRGQJQK-WLHGVMLRSA-N

c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC4(OCCO4)c5cccs5.C(=C/C(=O)O)\C(=O)O

pro_donors:1

pro_acceptors:6

XLogP3:3.0

Bulk/Fine:F