Structure details of probe T-10430 and control T-10404
| T-10430 | T-10404 | |
|---|---|---|
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| IUPAC name | 1-(6-(2-(1H-1,2,3,4-tetraazol-5-yl)-phenyl)-2,6-diaza-spiro[3.3]heptan-2-yl)-pentan-1-one | 1-(7-(2-(1H-1,2,3,4-tetraazol-5-yl)-phenyl)-2,7-diaza-spiro[3.5]nonan-2-yl)-pentan-1-one |
| Molecular weight | 326.19 g/mol | 354.22 g/mol |
| SMILES | CCCCC(N1CC2(C1)CN(C2)c1ccccc1c1nnn[nH]1)=O | CCCCC(N1CC2(CCN(CC2)c2ccccc2c2nnn[nH]2)C1)=O |
| InChi | InChI=1S/C17H22N6O/c1-2-3-8-15(24)23-11-17(12-23)9-22(10-17)14-7-5-4-6-13(14)16-18-20-21-19-16/h4-7H,2-3,8-12H2,1H3,(H,18,19,20,21) | InChI=1S/C19H26N6O/c1-2-3-8-17(26)25-13-19(14-25)9-11-24(12-10-19)16-7-5-4-6-15(16)18-20-22-23-21-18/h4-7H,2-3,8-14H2,1H3,(H,20,21,22,23) |
| InChi key | RIEBAXQZOMUWKX-UHFFFAOYSA-N | FRDJKCFCJPPTGJ-UHFFFAOYSA-N |
| Molecular formular | C17H22N6O | C19H26N6O |
| Number of chiral centres | 0 | 0 |
| Number of rotational bonds | 6 | 6 |
| Number of hydrogen bond acceptors | 5 | 5 |
| Number of hydrogen bond donors | 1 | 1 |