InChI: |
1S/C21H43N5O7.C20H41N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;(H2,1,2,3,4)/t9-,10-,11+,12-,13+,14+,15+,16-,17+,18+,19-,20+,21-;8-,9-,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20-;/m01./s1 |
InChIKey: |
UMGZIQXWEOMWAL-PXVOFIHBSA-N |
|
H donor: |
18 |
H acceptor: |
28 |
Rotatable bond: |
13 |
Stereocenter: |
26 |
|
cLogP: |
-13.036 |
cLogS: |
0.137 |
Polar surface: |
496.43 |
|