{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(2-methyl-1,3-oxazol-4-yl)methanone
Chemical Structure Depiction of
{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(2-methyl-1,3-oxazol-4-yl)methanone
{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(2-methyl-1,3-oxazol-4-yl)methanone
Compound characteristics
| Compound ID: | S923-0552 |
| Compound Name: | {3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(2-methyl-1,3-oxazol-4-yl)methanone |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C17 H24 N6 O4 S |
| Smiles: | Cc1nc(co1)C(N1CCc2nnc(C3CCCCN3S(C)(=O)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2896 |
| logD: | -0.3137 |
| logSw: | -1.0817 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.633 |
| InChI Key: | PSBAAAJYUKIUOR-AWEZNQCLSA-N |