1-{2-[7-(1-methyl-1H-imidazole-4-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{2-[7-(1-methyl-1H-imidazole-4-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
1-{2-[7-(1-methyl-1H-imidazole-4-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S923-0909 |
| Compound Name: | 1-{2-[7-(1-methyl-1H-imidazole-4-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C18 H27 N7 O3 S |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1979 |
| logD: | -0.198 |
| logSw: | -1.3023 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.279 |
| InChI Key: | BHGVJMCQGDVOSN-AWEZNQCLSA-N |