{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(5-methylpyrazin-2-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}(5-methylpyrazin-2-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}(5-methylpyrazin-2-yl)methanone
Compound characteristics
| Compound ID: | S923-0524 |
| 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}(5-methylpyrazin-2-yl)methanone |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C18 H25 N7 O3 S |
| Smiles: | Cc1cnc(cn1)C(N1CCc2nnc(C3CCCCN3S(C)(=O)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4568 |
| logD: | -0.481 |
| logSw: | -1.343 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.746 |
| InChI Key: | BLIINUNZWDCXOH-HNNXBMFYSA-N |