1-PIPERAZINEBUTANOL, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-Y L)-ALPHA-METHYL-, (Z)-2-BUTENEDIOATE (1:2)

86499-16-3

MFCD01703855

C23 H29 Cl N2 O S . 2 C4 H4 O4

649.157

InChI=1S/C23H29ClN2OS.2C4H4O4/c1-17(27)5-4-10-25-11-13-26(14-12-25)21-15-18-6-2-3-7-22(18)28-23-9-8-19(24)16-20(21)23;2*5-3(6)1-2-4(7)8/h2-3,6-9,16-17,21,27H,4-5,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey=GPKIOZFRRAZLOU-SPIKMXEPSA-N

CC(CCCN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

pro_donors:1

pro_acceptors:3

XLogP3:5.0

Bulk/Fine:F