{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(6-methylpyridin-3-yl)methanone
{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | T956-0208 |
| Compound Name: | {3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C18 H24 N6 O2 |
| Smiles: | Cc1ccc(cn1)C(N1CCc2nnc([C@@H]3C[C@H](CN3C)O)n2CC1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.9889 |
| logD: | -1.2169 |
| logSw: | -1.3704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.263 |
| InChI Key: | LWQLFWSDDDCJRS-GJZGRUSLSA-N |