3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Chemical Structure Depiction of
3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Compound characteristics
| Compound ID: | S923-0504 |
| Compound Name: | 3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C17 H26 N6 O2 S2 |
| Smiles: | Cc1c(CN2CCc3nnc(C4CCCCN4S(C)(=O)=O)n3CC2)scn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6265 |
| logD: | 0.5631 |
| logSw: | -1.5564 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.954 |
| InChI Key: | CPZXHLHSRBZDBY-AWEZNQCLSA-N |