InChI: |
1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2/b29-13-,30-14-,31-13-,32-15-,33-16-,34-16-,35-14-,36-15-; |
InChIKey: |
WFVBWSTZNVJEAY-VQGVYVAWSA-L |
|
H donor: |
6 |
H acceptor: |
14 |
Rotatable bond: |
16 |
Stereocenter: |
4 |
|
cLogP: |
6.554 |
cLogS: |
-7.736 |
Polar surface: |
268.33 |
|