1-{2-[7-(butane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{2-[7-(butane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
1-{2-[7-(butane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S923-0441 |
| Compound Name: | 1-{2-[7-(butane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C18 H31 N5 O4 S |
| Smiles: | CCCCS(N1CCc2nnc(C3CCCCN3C(COC)=O)n2CC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3635 |
| logD: | 0.3635 |
| logSw: | -1.3528 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.457 |
| InChI Key: | XHLDJONYNSKILW-HNNXBMFYSA-N |